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OECD SIDS LONG CHAIN ALCOHOLS

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SIDS Initial Assessment Report

For

SIAM 22 Paris, France, 18 – 21 April 2006

TOME 2: SIDS Dossiers

Category Name Long Chain Alcohols (C6-22 primary aliphatic alcohols)

1. and 2. Chemical CAS no. Chemical name Names and CAS numbers 111-27-3 1-Hexanol 111-87-5 1-Octanol 112-30-1 1-Decanol 112-42-5 1-Undecanol 112-70-9 1-Tridecanol 112-72-1 1-Tetradecanol 629-76-5 1-Pentadecanol 36653-82-4 1-Hexadecanol 143-28-2 9-Octadecen-1-ol, (9Z)- 629-96-9 1-Eicosanol 661-19-8 1-Docosanol 63393-82-8 Alcohols, C12-15 66455-17-2 Alcohols, C9-11 67762-25-8 Alcohols, C12-18 67762-27-0 Alcohols, C16-18 67762-30-5 Alcohols, C14-18 67762-41-8 Alcohols, C10-16 68551-07-5 Alcohols, C8-18 68002-94-8 Alcohols, C16-18 and C18 Unsaturated 68155-00-0 Alcohols, C14-18 and C16-18-unsatd. 68333-80-2 Alcohols, C14-16 68603-15-6 Alcohols, C6-12 68855-56-1 Alcohols, C12-16 75782-86-4 Alcohols, C12-13 75782-87-5 Alcohols, C14-15 80206-82-2 Alcohols, C12-14 85566-12-7 Alcohols, C8-10 85665-26-5 Alcohols, C10-12 97552-91-5 Alcohols, C18-22 90583-91-8 Tridecanol, branched and linear 3. Sponsor Country: United Kingdom


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4. Shared Partnership with:

5. Roles/Responsibilities of the Partners:

• Name of industry sponsor /consortium

Global ICCA Aliphatic Alcohols Consortium

• Process used The robust summaries were prepared by contractors to the Global ICCA Aliphatic Alcohols Consortium (GIAAC). The data matrix, SIAR and IUCLID dossiers were prepared by Shell Chemicals Ltd and a contractor, Peter Fisk Associates.

6. Sponsorship History • How was the chemical or

category brought into the OECD HPV Chemicals Programme ?

7. Review Process Prior to the SIAM:

All information was reviewed by the Global ICCA Aliphatic Alcohols Consortium. UK government (the Environment Agency of England and Wales, and MRC Institute for Environment and Health) peer-reviewed the SIDS documents, and audited selected key studies to check the robust study summaries.

8. Quality check process:

9. Date of Submission:

10. Date of last Update:

11. Comments: SIDS dossiers already existed for 1-Dodecanol (CAS 112-53-8) and 1-Octadecanol (CAS 112-92-5) (published in 1998 and 1995 respectively); the present document updates and extends the earlier ones; brings in new information, and therefore replaces it. No conclusions drawn in the earlier review are amended.

Available data for these substances are compiled in SIDS dossiers related to each CAS number. The reliability of each data point has been considered during this period of review, in accordance with the guidance of the Fraunhofer Institut für Toxikologie und Aerosolforschung. The following standard reliability codes, defined by Klimisch et al. (1997)1, apply, in accordance with the SIDS guidance:

(1) Valid without restriction (2) Valid with restrictions (3) Invalid (4) Not assignable.

Results considered to be Invalid are not used in the discussions or conclusions in this report. However, results which are of Non-assignable reliability may be fully valid, although

1 Klimisch, HJ, Andreae, E and Tillmann, U 1997. A systematic approach for evaluating the quality of experimental and ecotoxicological data. Reg.Tox. and Pharm. 25:1-5


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insufficient details were available to be sure of this; therefore reliability (4) results are used in this report. The reliability code of each data point is given.

Key studies are flagged in the SIDS dossiers. These are studies with the highest reliability/adequacy. If several studies showed comparable reliability/ adequacy, the study with the lowest LC/LD/EC50 or NOEC/ NOAEL has been indicated as the key study. For some endpoints, fully reliable results are not available and it has been necessary to use a weight of evidence including results of studies of non-assignable reliability. In such cases the results are identified as key studies as they are of high importance to the data set.

For transparency, some study summaries in the SIDS dossier have been transferred from the previously published version of IUCLID or from the previous SIDS submission. In some cases, it has not been possible to retrieve the original literature/study reports using the reported citation or as a result of literature searching. In some cases, change of business ownership meant that internal study reports cited in previous summaries could not be accessed. In some other cases, e.g. certain non-SIDS endpoints, and in areas where a very large amount of literature has been published, it was not considered necessary to pursue all individual published sources due to weight of evidence of more reliable results. In all cases, reliability (4) applies, because the original documentation has not been reviewed in the development of the dossier. Such results are clearly identified in the SIDS dossier and more details are given therein.

OECD SIDS 1-HEXANOL

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I U C L I D

D a t a S e t Existing Chemical ID: 111-27-3 CAS No. 111-27-3 EINECS Name hexan-1-ol EC No. 203-852-3 Molecular Formula C6H14O Producer Related Part Company: Shell Chemicals Ltd. Creation date: 18-JAN-2006 Substance Related Part Company: Shell Chemicals Ltd. Creation date: 18-JAN-2006 Memo: MERGED JAN 2006 Printing date: 11-MAY-2006 Revision date: Date of last Update: 11-MAY-2006 Number of Pages: 111 Chapter (profile): Chapter: 1, 2, 3, 4, 5, 6, 7, 8, 10 Reliability (profile): Reliability: without reliability, 1, 2, 3, 4 Flags (profile): Flags: without flag, confidential, non confidential, WGK (DE), TA-Luft (DE), Material Safety Dataset, Risk Assessment, Directive 67/548/EEC, SIDS

OECD SIDS 1-HEXANOL 1. GENERAL INFORMATION ID: 111-27-3 DATE: 11.05.2006

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1.0.1 Applicant and Company Information Type: sponsor country Name: The Environment Agency Contact Person: Steve Dungey Date: Street: Evenlode House, Howbery Park Town: OX10 8BD Wallingford, Oxon Country: United Kingdom Phone: +1491 828557 11-AUG-2005 Type: lead organisation Name: Aliphatic Alcohols Consortium, The Soap and Detergent Association Contact Person: Hans Sanderson Date: Street: 1500 K Street NW, Suite 300 Town: 20005 Washington DC Remark: Industry Consortium member 19-DEC-2005 Type: cooperating company Name: Arizona Chemical Company Contact Person: Ms. Jenifer A. Date: Whittington Street: West Lathrop Avenue P.O. Box 2668 Town: 31402 Savannah, GA Country: United States Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: CEFIC Contact Person: Dr. Christophe Sene Date: Street: Avenue E. van Nieuwenhuyse 4 Town: B 1160 Brussels Country: Belgium Remark: Consortium Member 20-DEC-2005 Type: cooperating company Name: Cognis Deutschland GmbH Contact Person: Konrad Gamon Date: Street: HenkelstraBe 67 Town: D-40551 Düsseldorf Country: Germany Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: Kao Corporation Contact Person: Mr. Yutaka Kasai Date: Street: 2-1-3 Bunka, Sumida-ku Town: 131-8501 Tokyo Country: Japan


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Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: Mitsubishi Chemical Corporation Contact Person: Dr. Yasukazu Uchida Date: Street: 33-8, Shiba 5-Chome Minato-ku Town: 100-0005 Tokyo Country: Japan Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: New Japan Chemical Co. Ltd Contact Person: Mr. Kango Fujitani Date: Street: 1-8, 2-Chome, Bingo-Machi Town: 541-0051 Osaka Country: Japan Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: Oleon N.V. Contact Person: Mr. Filip Bincquet Date: Street: Vaarstraat 130 Town: 2520 Oelegem Country: Belgium Remark: Consortium member 19-DEC-2005 Type: cooperating company Name: The Procter and Gamble Company Contact Person: Dr. Scott E Belanger Date: Street: P.O. Box 538707 Town: 45253-8707 Cincinatti, OH Country: United States Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: Rhodia Inc. Contact Person: Dr. Glenn Simon Date: Street: 5171 Glenwood Avenue - Suite 402 Town: 27612 Raleigh, NC Country: United States Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: Sasol Italy S.p.A. Contact Person: Enrico Dallara Date: Street: V. Medici del Vascello, 26 Town: 20057 20138 Milano Country: Italy


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Remark: Consortium Member 09-SEP-2005 Type: cooperating company Name: Sasol North America Inc. Contact Person: Dr. David Penney Date: Street: 900 Threadneedle Town: 77079-2990 Houston, TX Country: United States Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: SASOL Olefins and Surfactants GmbH Contact Person: Dr. Hans Certa Date: Street: Paul-Baumann-Strasse, 1 Town: D-45764 Marl Country: Germany Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: Shell Chemical Company Contact Person: Ms. Susan O. Antrican Date: Street: 910 Louisiana Street, One Shell Plaza Town: 77002 Houston, TX Country: United States Remark: Consortium Member 19-DEC-2005 Type: cooperating company Name: Shell Chemicals Limited Contact Person: Mr. Gauke Veenstra Date: Street: P.O. Box 162 Town: NL-2501AN The Hague Country: Netherlands Remark: Consortium Member 19-DEC-2005 1.0.2 Location of Production Site, Importer or Formulator Remark: There are production sites for long chain alcohols in Belgium, Germany, Italy, Japan, UK and USA 21-DEC-2005 1.0.3 Identity of Recipients Remark: Not required 11-AUG-2003


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1.0.4 Details on Category/Template Comment: This substance is part of a Category of long chain aliphatic alcohols, set up on grounds of structural similarity. Remark: The Long Chain Alcohols Category consists of aliphatic alcohols within a carbon chain length range of C6-C22. The Category covers 30 CAS numbers. The Category members include alcohols with varying compositions and structures. Composition depends on the route to manufacture and the related feedstocks. Most of the alcohols have predominantly linear carbon chains but certain manufacturing processes create branched or unsaturated structures. Commercial products are primarily mixtures of carbon chain lengths. Many of the Category members are complex reaction products, containing a range of aliphatic alcohol components, of varying carbon chain lengths. There is considerable overlap between the compositions of certain Category members. In some cases, a commercial product could be accurately described by any of several different CAS numbers and names. Indeed, for some commercial products marketed by international companies, different CAS numbers may be used in different parts of the world (usually for historical reasons, including commercial, regulatory or inventory status). Where this is the case, data are filed on one dossier only, for the ‚preferred' CAS number (usually indicated by the company). More detailed information is presented in the confidential annex to the SIAR. The individual substances covered by the Long Chain Alcohols Category are: CHEMICAL NAME CAS no. 1-Hexanol 111-27-3 1-Octanol 111-87-5 1-Decanol 112-30-1 1-Undecanol 112-42-5 1-Tridecanol 112-70-9 1-Tetradecanol 112-72-1 1-Pentadecanol 629-76-5 1-Hexadecanol 36653-82-4 9-Octadecen-1-ol, (9Z)- 143-28-2 1-Eicosanol 629-96-9 1-Docosanol 661-19-8 Alcohols, C12-15 63393-82-8 Alcohols, C9-11 66455-17-2 Alcohols, C12-18 67762-25-8 Alcohols, C16-18 67762-27-0 Alcohols, C14-18 67762-30-5 Alcohols, C10-16 67762-41-8 Alcohols, C8-18 68551-07-5 Alcohols, C16-18 and C18 Unsaturated 68002-94-8 Alcohols, C14-18 and C16-18-unsatd. 68155-00-0 Alcohols, C14-16 68333-80-2 Alcohols, C6-12 68603-15-6


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Alcohols, C12-16 68855-56-1 Alcohols, C12-13 75782-86-4 Alcohols, C14-15 75782-87-5 Alcohols, C12-14 80206-82-2 Alcohols, C8-10 85566-12-7 Alcohols, C10-12 85665-26-5 Tridecanol, branched and linear 90583-91-8 Alcohols, C18-22 97552-91-5 These substances are produced by Consortium Members using trade names with numerical codes. These names include ALCHEM ALFOL CO DOBANOL EPAL HYDRENOL ISALCHEM KALCOL LANETTE LIAL LINEVOL LOROL NACOL NAFOL NEODOL OCENOL SAFOL TA Remark 2: If several studies showed comparable reliability/ adequacy, the study with the lowest LC/LD/EC50 or NOEC/ NOAEL was indicated as the key study. For some endpoints, fully reliable results were not available and it was necessary to use a weight of evidence including results of studies of non-assignable reliability. In such cases the results are identified as key studies as they are of high importance to the data set. For transparency, some study summaries in the SIDS dossier were transferred from the previously published version of IUCLID. In some cases, it was not possible to retrieve the original literature/study reports using the reported citation or as a result of literature searching. In some cases, change of business ownership meant that internal study reports cited in previous summaries could not be accessed. In some other cases, e.g. certain non-SIDS endpoints, and in areas where a very large amount of literature has been published, it was not considered necessary to pursue all individual published sources due to weight of evidence of more reliable results. In all cases, reliability (4) applies, because the original documentation has not been reviewed in the development of the dossier.


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06-OCT-2005 Comment: Key studies are flagged in the SIDS dossier. These are studies with the highest reliability/adequacy. Remark: If several studies showed comparable reliability/ adequacy, the study with the lowest LC/LD/EC50 or NOEC/ NOAEL was indicated as the key study. For some endpoints, fully reliable results were not available and it was necessary to use a weight of evidence including results of studies of non-assignable reliability. In such cases the results are identified as key studies as they are of high importance to the data set. For transparency, some study summaries in the SIDS dossier were transferred from the previously published version of IUCLID. In some cases, it was not possible to retrieve the original literature/study reports using the reported citation or as a result of literature searching. In some cases, change of business ownership meant that internal study reports cited in previous summaries could not be accessed. In some other cases, e.g. certain non-SIDS endpoints, and in areas where a very large amount of literature has been published, it was not considered necessary to pursue all individual published sources due to weight of evidence of more reliable results. In all cases, reliability (4) applies, because the original documentation has not been reviewed in the development of the dossier. 02-AUG-2005 1.1.0 Substance Identification IUPAC Name: 1-Hexanol Smiles Code: OCCCCCC Mol. Formula: C6 H14 O1 Mol. Weight: 102.18 21-DEC-2005 1.1.1 General Substance Information Substance type: organic Physical status: liquid Remark: The substances in this Category have a range of composition and purity. Some information is confidential. Non-confidential data are summarised here. Of the commercial products associated with the Consortium members, those identified as 1-hexanol, CAS 111-27-3 are 100% linear. The substance comprises >95% C6. Components of even chain length, in the range C6-C10 are present. 05-AUG-2005


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1.1.2 Spectra Remark: Not required. 11-AUG-2003 1.2 Synonyms and Tradenames Remark: Some synonyms, including a selection of commercial product names, are: 1-Hexanol (9CI) (CA INDEX NAME) Hexyl alcohol (8CI) NSC 9254 Pentylcarbinol Hexanol Hexan-1-ol Alcohol C-6 Caproic alcohol Some commercial products with the name Alfol Some commercial products with the name Lorol 1-Hexyl alcohol 1-Hydroxyhexane Amylcarbinol Caproyl alcohol Epal 6 Hexanol n-Hexan-1-ol n-Hexanol n-Hexyl alcohol Source: Synonyms listed in various sources in the public domain, including the CAS Registry and Chemfinder website 21-OCT-2005 1.3 Impurities Remark: Some of the substances in the Long Chain Alcohols Category contain other alcohols (e.g. decanol may be present in dodecanol). In the context of the Category, these are considered to be by-products rather than impurities. True impurities, with a chemical structure different from the definition of the Category, are not present in 1-hexanol. Composition is described in section 1.1.1, General Substance Information. 05-AUG-2005 1.4 Additives Remark: No additives are used. 05-AUG-2005


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1.5 Total Quantity Quantity: ca. 1500000 - 3000000 tonnes 2004 Remark: The quantity stated above is an estimated global total annual consumption. This figure, and the data below, relate to totals for the entire Long Chain Aliphatic Alcohols HPV Category, including both 'sponsored' Category members and 'supporting' substances (refer to the SIAR). USA: production + import ca. 650 000 - 2 000 000 tonnes in 2002 (IUR data). Production ca. 620 000 tonnes (2002 survey of the Consortium member companies). Both figures are totals for all category members. Western Europe: consumption ca. 700 000 tonnes in 2004 (APAG/CEFIC data). Production ca. 710 000 tonnes (2002 survey of the Consortium member companies). Both figures are totals for all category members. Japan: production + import total ca. 150 000 tonnes per year (published data). Production ca. 250 000 tonnes (2002 survey of the Consortium member companies). Both figures are totals for all category members. Commercial production figures for specific CAS, or narrow ranges of chain length, are confidential. For this substance, more specific data are available in the public domain: USA: ca. >5 000 - 25 000 tonnes (CAS-specific data) - This is the publicly-available US IUR quantity (i.e. total production plus import) for USA, for 2002. This is equivalent to >10 000 000 - 50 000 000 pounds. Japan: Production 7000 tonnes, consumption 13 000 tonnes (alcohols in range C6-11). This is publicly-available CEH data for Japan, for 2001. 21-DEC-2005 (6) (37) (72) 1.6.1 Labelling Remark: Not required 11-AUG-2003 1.6.2 Classification Remark: Not required 11-AUG-2003 1.6.3 Packaging Memo: Not required 11-AUG-2003


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1.7 Use Pattern - 1.7.1 Detailed Use Pattern Remark: Across the Long Chain Alcohols Category, approximately 50% of the total production volume is used directly in final products, including paints, lubricants, paper, plastic, textiles, leather, plaster, formwork oils, household products and personal care/cosmetic products. The remainder is processed as an intermediate (with approximately 65% of the intermediate volume being site limited). 21-DEC-2005 Use category: 9 Cleaning/washing agents and additives Extra details on use category: No extra details necessary No extra details necessary Emission scenario document: not available 19-SEP-2005 Use category: 26 Food/feedstuff additives Extra details on use category: No extra details necessary No extra details necessary Emission scenario document: not available 19-SEP-2005 Use category: 55/0 other Extra details on use category: No extra details necessary No extra details necessary Emission scenario document: not available Remark: Paints, lacquers and varnishes 19-SEP-2005 Use category: 38 Plant protection products, agricultural Extra details on use category: No extra details necessary No extra details necessary Emission scenario document: not available 19-SEP-2005 1.7.2 Methods of Manufacture Remark: Aliphatic alcohols are manufactured by a number of processes, but these can be divided into two general categories: Oleochemical - the feedstocks for the most common oleochemical-based processes include plant or animal based oils or fats: coconut, palm kernel oil and tallow fat, or other triglycerides.


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Petrochemical and other synthetic processes - the most commonly used processes use different feedstocks - olefins (alpha and internal), ethylene, propylene oligomers. Some Category members are produced using olefins derived from the Fischer-Tropsch process. Some commercially available products are blends of two or more specific chain length alcohols to produce mixtures. Different manufacturing methods can lead to different compositional profiles; further details are given in Annex I to the SIAR. Compositional information given in chapter 1.1-1.4 represents typical composition. Specific batches may be subject to variation. 21-DEC-2005 1.8 Regulatory Measures - 1.8.1 Occupational Exposure Limit Values Remark: Not required 11-AUG-2003 1.8.2 Acceptable Residues Levels - 1.8.3 Water Pollution Remark: WGK Classification 1 ID No. 125. 05-AUG-2005 (79) 1.8.4 Major Accident Hazards Remark: Not required 11-AUG-2003 1.8.5 Air Pollution Remark: Not required 11-AUG-2003 1.8.6 Listings e.g. Chemical Inventories


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Remark: Not required 11-AUG-2003 1.9.1 Degradation/Transformation Products CAS-No: 111-27-3 EC-No: 203-852-3 EINECS-Name: hexan-1-ol 05-AUG-2005 1.9.2 Components - 1.10 Source of Exposure Remark: Exposure could arise in association with production, formulation and industrial use of 1-hexanol. There could also be exposure from private use (for consumer products). 05-AUG-2005 1.11 Additional Remarks Memo: Not required 11-AUG-2003 1.12 Last Literature Search Type of Search: Internal and External Remark: All Chapters covered; last search was on 1st June 2004. Searches of several commonly used literature databases have been performed, by industry and independent reviewers.References in Chemical Abstracts have been followed up in terms of citation, and relevant original references obtained from libraries. A report of the literature search methods and outcomes is available. For full details of search strategy, refer to SIAR Section 7 02-AUG-2005 1.13 Reviews Memo: Not required Remark: Lington, A.W. and Bevan, C. 1994. Alcohols. In: Clayton, G.D. and Clayton, F.E. (eds.). Patty's Industrial Hygiene and Toxicology. vol. II, part D. New York: John Wiley & Sons, Inc. Pp. 2585-2760. 11-AUG-2003

OECD SIDS 1-HEXANOL 2. PHYSICO-CHEMICAL DATA ID: 111-27-3 DATE: 11.05.2006

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2.1 Melting Point Value: = -44 - -51 degree C Test substance: as prescribed by 1.1 - 1.4 Reliability: (4) not assignable Flag: Critical study for SIDS endpoint 31-DEC-2004 (77) Value: = -51.6 degree C Method: other: not specified GLP: no data Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. (Reference: Registry of Toxic Effects of Chemical Substances) 03-JAN-2005 2.2 Boiling Point Value: = 158 degree C Test substance: as prescribed by 1.1 - 1.4 Reliability: (4) not assignable Flag: Critical study for SIDS endpoint 03-JAN-2005 (77) Value: = 145 - 160 degree C Method: other: DIN 51751 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Source: Henkel KGaA. RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. 03-JAN-2005 (40) Value: = 150 - 170 degree C Method: other: ASTM-D-1078 GLP: no Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable


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This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. 03-JAN-2005 (35) Value: = 152 - 162 degree C Method: other: ASTM-D-1078 GLP: no Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. 03-JAN-2005 (42) Value: = 157 degree C Method: other: not specified GLP: no data Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. 03-JAN-2005 (51) 2.3 Density Value: = .82 Test substance: as prescribed by 1.1 - 1.4 Source: Chemfinder Reliability: (4) not assignable This value was obtained from secondary literature. Flag: Critical study for SIDS endpoint 03-JAN-2005 (27) Type: density Value: = .81 - .82 g/cm³ at 20 degree C Method: other: DIN 51757 B Test substance: as prescribed by 1.1 - 1.4 Source: Henkel KGaA. RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint.


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03-JAN-2005 (40) Type: density Value: = 817 - 821 g/cm³ at 20 degree C Method: other: DIN 51757 GLP: no Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. 03-JAN-2005 (35) 2.3.1 Granulometry Remark: Not a required OECD or HPV endpoint. 07-MAR-2000 2.4 Vapour Pressure Value: = 1.22 hPa at 25 degree C Method: other (measured) GLP: no data Test substance: as prescribed by 1.1 - 1.4 Reliability: (2) valid with restrictions Value obtained from a recognised source of physico-chemical data. This reference is considered as definitive for vapour pressure values. Flag: Critical study for SIDS endpoint 11-OCT-2005 (18) Value: = 1.21 hPa at 25 degree C Method: other (calculated): from composition Year: 2005 GLP: no Test substance: as prescribed by 1.1 - 1.4 Remark: For all commercial alcohols, various chain lengths will be present, and the overall vapour pressure of the product has been calculated from the contribution (partial vapour pressure) of each component on a mole-% basis. Reliability: (2) valid with restrictions valid with restrictions. The value was predicted using a partial vapour pressure contribution method, supported by additional validation. 11-OCT-2005 (1) Value: = 1 hPa at 20 degree C


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GLP: no Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. A source of higher reliability is available. 11-OCT-2005 (35) Value: = 1.3 hPa at 20 degree C Method: other (calculated) Test substance: as prescribed by 1.1 - 1.4 Reliability: (4) not assignable 11-OCT-2005 (77) Value: ca. 2 hPa at 40 degree C GLP: no data Test substance: as prescribed by 1.1 - 1.4 Source: Henkel KGaA. RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. A source of higher reliability is available. 11-OCT-2005 (40) 2.5 Partition Coefficient Partition Coeff.: octanol-water log Pow: = 2.03 Method: other (measured) Test substance: as prescribed by 1.1 - 1.4 Method: The generator column was coated with liquid solute and 1-octanol. Water was then pumped into the column. Analysis of the aqueous phase from the 1% octanol coated column was used to determine the Kow. Reliability: (2) valid with restrictions Flag: Critical study for SIDS endpoint 03-JAN-2005 (70) 2.6.1 Solubility in different media Solubility in: Water Value: = 5900 mg/l at 25 degree C Method: other Test substance: as prescribed by 1.1 - 1.4 Reliability: (2) valid with restrictions


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Value obtained from a recognised source of physico-chemical data. This reference is considered authoritative for water solubility values. Flag: Critical study for SIDS endpoint 08-AUG-2005 (83) Solubility in: Water Value: = 4231 mg/l at 20 degree C Method: other Test substance: as prescribed by 1.1 - 1.4 Method: A generator column was coated with liquid solute. Water was pumped into the column. Analysis of the aqueous phase from the pure solute coated column yielded the aqueous solubility. Reliability: (2) valid with restrictions 03-JAN-2005 (70) Solubility in: Water Value: = 6 g/l at 25 degree C GLP: no Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. A source of higher reliability is available. 03-JAN-2005 (36) Solubility in: Water Value: = 6270 mg/l at 25 degree C Test substance: as prescribed by 1.1 - 1.4 Reliability: (2) valid with restrictions 21-SEP-2005 (75) Solubility in: Water Value: = 5760 mg/l at 25 degree C Method: other: (calculated) partition model Year: 2005 GLP: no Test substance: as prescribed by 1.1 - 1.4 Method: For all commercial alcohols, various chain lengths will be present, and the solubility reported represents the sum of the dissolved concentrations of all components. Therefore a standard method based on a partition model has been developed, validated and applied. A key input to this model is the compositional breakdown, which follows the description given in section 1.1-1.4. Predictions of the individual concentrations are available in a confidential Annex to the SIAR. Remark: Dissociation is not expected under normal conditions of pH (pKa expected to be >15).


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Result: The water solubility is estimated to be 5760 mg/l at a loading rate of 10000 mg/l. Reliability: (2) valid with restrictions The value was predicted using a multiple partitioning model, supported by additional validation. 09-AUG-2005 (1) 2.6.2 Surface Tension - 2.7 Flash Point Value: ca. 65 degree C Type: closed cup Method: other: DIN 51758/ISO 2719 (According to Pensky-Martens) GLP: no data Test substance: as prescribed by 1.1 - 1.4 Source: Henkel KGaA. RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. 03-JAN-2005 (40) Value: = 60 degree C Test substance: as prescribed by 1.1 - 1.4 Reliability: (4) not assignable Value obtained from secondary literature. Original reference not stated 03-JAN-2005 (27) Value: = 62 degree C Type: open cup Test substance: as prescribed by 1.1 - 1.4 Reliability: (4) not assignable 03-JAN-2005 (53) Value: = 62 degree C Method: other: DIN 51755 GLP: no Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source to reassign the reliability would not alter the overall conclusions concerning this endpoint. 03-JAN-2005 (35)


22

2.8 Auto Flammability - 2.9 Flammability Result: non flammable Method: Directive 84/449/EEC, A.13 "Flammability (solids and liquids)" GLP: no Test substance: as prescribed by 1.1 - 1.4 Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable 03-JAN-2005 2.10 Explosive Properties Test substance: as prescribed by 1.1 - 1.4 Remark: No explosive properties. Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. 03-JAN-2005 2.11 Oxidizing Properties Remark: No oxidizing properties. Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. 03-JAN-2005 2.12 Dissociation Constant - 2.13 Viscosity - 2.14 Additional Remarks

OECD SIDS 1-HEXANOL 3. ENVIRONMENTAL FATE AND PATHWAYS ID: 111-27-3 DATE: 11.05.2006

23

3.1.1 Photodegradation Method: other (measured): method not stated Year: 1994 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Result: Measured rate constant: 12.5E-12 cm3/molecule.sec Half-life: 30.8 hours The half-life is calculated from the rate constant, and assumes an OH radical concentration of 5E+05 OH molecules/cm3) (global average value, obtained from EU Technical Guidance for environmental risk assessment). Reliability: (2) valid with restrictions Value obtained from a recognised source of atmospheric degradation data. Flag: Critical study for SIDS endpoint 15-SEP-2005 (33) 3.1.2 Stability in Water Test substance: as prescribed by 1.1 - 1.4 Remark: This substance has no hydrolysable structural features and would be expected to be stable in water. Oxidation would not be expected under normal environmental conditions. 10-JAN-2005 3.1.3 Stability in Soil - 3.2.1 Monitoring Data (Environment) - 3.2.2 Field Studies - 3.3.1 Transport between Environmental Compartments Method: other: Mackay Level I and Level III models Year: 2005 Result: INPUT DATA USED: Molecular weight 102.2 Data temperature 25 deg C Log Kow 2.03 Water Solubility 5900 mg/l Vapour pressure 122 Pa Melting point -50 deg C half life in air 30.8 h


24

half life in water and soil 720 h RESULTS The % environmental distribution calculated from the above parameters using the MacKay level 1 model is as follows: Air 28% Soil 6.23% Water 65.6% Fish 3.52E-04% Sediment 0.14% The Level III program has also been used, with the default model, using the same input parameters.The distribution between compartments obtained is as follows: Release: To air To water To soil % in air 66.8 0.0375 0.0379 % in water 8.11 99.9 14.6 % in sediment 0.00728 0.0897 0.0131 % in soil 25.1 0.0141 85.3 The results reflect that the ultimate fate of 1-hexanol is dependent on its route of release into the environment. Reliability: (2) valid with restrictions Assessment performed according to accepted models and principles. Flag: Critical study for SIDS endpoint 21-DEC-2005 (4) 3.3.2 Distribution Media: water - soil Method: other (calculation): various methods Method: Various accepted methods were used to predict Koc. None of these approaches stands out in terms of reliability or performance. The value calculated by the TGD Hydrophobics equation is the most conservative across the category, except at the shortest chain lengths. While this method is not intended for use with alcohols, measured adsorption coefficients in the range C12-18 (van Compernolle et al, in press) suggest that this method is relevant for these substances. The measured log Kow value of 2.03 was used in the TGD calculation methods. Result: TGD Hydrophobics method: Koc = 56 TGD Hydrophobics method: Koc = 118 TGD Alcohols method: Koc = 19.6 SRC PCKOCWIN method: Koc = 8.3 Test substance: As prescribed in section 1.1-1.4 Reliability: (2) valid with restrictions The value was predicted using accepted calculation methods 28-DEC-2005 (3) 3.4 Mode of Degradation in Actual Use -


25

3.5 Biodegradation Type: aerobic Inoculum: other: effluent of predominantly domestic sewage treatment plant Concentration: 2 mg/l related to Test substance 5 mg/l related to Test substance Contact time: 30 day(s) Degradation: = 77 - 61 % after 30 day(s) Result: readily biodegradable Kinetic: 5 day(s) = 52 % 15 day(s) = 75 - 62 % 30 day(s) = 77 - 61 % Control Subst.: other: Dodecylsulfate Method: OECD Guide-line 301 D "Ready Biodegradability: Closed Bottle Test" Year: 1988 GLP: no Test substance: as prescribed by 1.1 - 1.4 Remark: The first value cited in the degradation and kinetic sections is for the 2 mg/l concentration while the second value is for the 5 mg/l concentration. Due to the low solubility of the test substance, a homogenous distribution was achieved by ultrasound dispersion and stabilization by an inert emulsifier. Although the present study does not include proof of the inertness, other studies from the same laboratory confirm this statement. The following validity criteria were met: (1) the parallel assays did not differ by more than 20%, (2) the reference compound reached the pass level within 14 days, (3) oxygen depletion in the inoculum blank did not exceed 1.5 mg/l after 30 days, and (4) the residual concentration of oxygen in the test bottle did not fall below 0.5 mg/l at the lower test concentration. At the higher test concentration, the reported dissolved oxygen concentration was below 0.5 mg/l from Day 15 onwards. Result: Kinetic of control substance: 5 days = 72% 15 days = 91% 30 days = 87% The substance degraded >60% during the 10 day window and can be regarded as readily biodegradable. Test condition: Concentration of inoculum: 1 ml/l (about 10E3 - 10E5 cells/ml) Test volume: 290-296 ml Temperature: 20 C pH: not reported Reliability: (2) valid with restrictions The test was not conducted to GLP and did not meet one of the validity criteria for the test at the higher test concentration. Flag: Critical study for SIDS endpoint 29-DEC-2005 (52) Type: aerobic Inoculum: other: no details provided on inoculum Concentration: 20 mg/l related to Test substance Contact time: 31 day(s) Degradation: = 58 % after 31 day(s)


26

Result: inherently biodegradable Kinetic: 4 day(s) = 35 % 10 day(s) = 49 % 17 day(s) = 55 % 24 day(s) = 57 % 31 day(s) = 58 % Control Subst.: other: Sodium benzoate Method: other: US EPA OPPTS 835.3100 Aerobic Aquatic Biodegradation Test Year: 1994 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Method: The inoculum used was activated sludge from a semi-continuous colony maintained in the laboratory. Incubation was carried out at 25°C in 200 ml Erlenmeyer flasks containing 5 ul of a alcohol and 100 ml of culture medium. Biodegradation rate constant was determined by measurement ofthe alcohol concentration in the supernatant of the culture by gas chromatography. Remark: There is no information given on the validity criteria. Result: Kinetic of control substance: 4 days = 47.1% 10 days = 58.1% 17 days = 60.5% 24 days = 61.2% 31 days = 62.2% The test substance attained


27

Degradation: = 77 % after 30 day(s) Result: readily biodegradable Test substance: as prescribed by 1.1 - 1.4 Remark: Lorol C6 Source: Henkel KGaA. Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Further review of the original source, to reassess the reliability, would not alter the overall conclusions concerning this end point. A source of higher reliability is available. Assessment of data quality to current OECD standards is not possible and the study has therefore been assigned Reliability 4. 10-JAN-2005 (24) 3.6 BOD5, COD or BOD5/COD Ratio Method: other: APHA 1980 GLP: no data Year: Method: Test chemical and 1 ml of acclimated seed were added to 20 ml of dilution water in 300 ml BOD bottles. The bottles were then filled to capacity with dilution water, sealed, and incubated for 5d at 21 C +/- 3 C. Initial concentrations of test chemical in the BOD bottles ranged from 0 to 3.2 mg/l and never exceeded the measured (or in some cases, estimated) water solubility of the chemical. BOD was determined by measurement of dissolved oxygen concentrations in the test vessels at the start and end of the test period. Remark: The primary purpose of this study was to determine a quantitative structure-biodegradability relationship for a series of alcohols. Result: 53% degradation after 5 days (% ThOD) Test substance: As prescribed by 1.1 - 1.4 Reliability: (2) valid with restrictions Non-guideline study. 11-OCT-2005 (73) 3.7 Bioaccumulation BCF: = 11 Method: other: calculated (Veith et al, 1979) GLP: no Test substance: as prescribed by 1.1 - 1.4 Method: For substances with log Kow 6, the parabolic recalculated Connell and Hawker equation was used. This approach is in accordance with standard EU recommendations. The measured log Kow value of 2.03 was used in the calculation.


28

Remark: Predicted values for branched alcohols suggest that bioconcentration is expected to be slightly lower for branched structures than for linear alcohols of equivalent carbon number. The natural ability of biochemical systems in the body to metabolise alcohols may mean that predictions will tend to be overestimates. Reliability: (2) valid with restrictions The value was predicted using an accepted calculation method. 21-DEC-2005 (3) 3.8 Additional Remarks -

OECD SIDS 1-HEXANOL 4. ECOTOXICITY ID: 111-27-3 DATE: 11.05.2006

29

AQUATIC ORGANISMS 4.1 Acute/Prolonged Toxicity to Fish Type: flow through Species: Pimephales promelas (Fish, fresh water) Exposure period: 96 hour(s) Unit: mg/l Analytical monitoring: yes LC50: = 97.2 - 97.5 Limit Test: no Method: other: USEPA 1975. Year: 1983 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Remark: Two papers (Veith et al 1983 a,b) appear to report the same study altough the LC50 values differ slightly, giving the range of LC50 values shown. The focus of these papers was to describe the relationship between experimentally obtained 96-h LC50 values for fathead minnows and the n-octanol/water partition coefficient. Result: RESULTS: EXPOSED LC50 = 97.2 - 97.5 mg/l Based on measured concentrations RESULTS: CONTROL Number/% showing adverse effects: Not reported The publication indicates all concentrations were monitored daily using analytical methods, however, no results are included. Test condition: TEST ORGANISMS Strain: Pimephales promelas Supplier: Environmental Research Laboratory-Duluth culture Weight: 0.12 g Age: 30 days old Feeding: not reported Pretreatment: not reported Feeding during test: none Control group: 2 replicates STOCK AND TEST SOLUTION AND THEIR PREPARATION Vehicle, solvent: none Concentration of vehicle, solvent: none STABILITY OF TEST CHEMICAL SOLUTIONS not reported DILUTION WATER Source: Lake Superior Aeration: not reported Alkalinity: 42.2 mg/L Hardness: 56.3 mg/L CaCO3 Conductance: Not reported TEST SYSTEM Concentrations: 5 different concentrations Renewal of test solution: not reported Exposure vessel type: Test tanks Number of replicates: 2 Fish per replicate: 2 Test temperature: 25 C Dissolved oxygen: > 60% of saturation pH mean: 7.5


30

Adjustment of pH: not reported Intensity of irradiation: not reported Photoperiod: not reported TEST PARAMETER: Mortality SAMPLING: Deaths recorded at 1, 3, 6, 12, 24, 48, 72 and 96h. MONITORING OF TEST SUBSTANCE CONCENTRATION: Concentrations of chemicals in water were measured in each tank throughout the test, although analysis results were not provided. Reliability: (2) valid with restrictions Flag: Critical study for SIDS endpoint 21-DEC-2005 (75) (76) Type: flow through Species: Pimephales promelas (Fish, fresh water) Exposure period: 96 hour(s) Unit: mg/l Analytical monitoring: yes LC50: = 117 - 126 Limit Test: no Method: other: ASTM 1980 Year: 1985 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Remark: Flow-through toxicity tests were conducted with a geometric series (0.8 dilution factor) of toxicant concentrations for all tests. Test water was maintained at 25 C and pH 7.6. Successive batches of five fry or juveniles were added to each treatment and control chamber, providing a total of 20 test organisms per treatment level. The test was performed in 1985. Result: RESULTS: EXPOSED LC50 = 126 mg/l for fry LC50 = 117 mg/l for juveniles Based on measured concentrations RESULTS: CONTROL Number/% showing adverse effects: No control mortality in tests with juveniles and less than 10% in tests with fry (refers to all 27 chemicals tested in study) Reliability: (2) valid with restrictions Not key study: Other studies (same reliability score) but showing greater toxicity are available 19-JUL-2005 (16) Type: static Species: Leuciscus idus (Fish, fresh water) Exposure period: 48 hour(s) Unit: mg/l Analytical monitoring: no data LC0: = 30 LC50: = 55 LC100: = 100 Limit Test: no Method: other GLP: no data Test substance: as prescribed by 1.1 - 1.4 Method: German standard methods for the examination of water, waste


31

water and sludge; bioassays (group L); determination of the effect of substances in water on fish-fish test (L15). Test method corresponds to OECD Guideline 203. Remark: Static exposures. Endpoint was mortality. This information is from a 1 page summary of the full report but an OECD standard method was used. 10 animals per concentration. Test was carried out prior to 1999. Reliability: (2) valid with restrictions Not key study: Other studies (same reliability score) showing lesser toxicity but carried out under flow-through conditions and using measured concentrations are available 10-AUG-2005 (26) Type: static Species: Alburnus alburnus (Fish, estuary) Exposure period: 96 hour(s) Unit: mg/l Analytical monitoring: no data LC50: = 120 Limit Test: no Method: other Year: 1984 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Remark: Fish from the Baltic Sea were placed into glass tanks containing water in groups of ten. The alcohol was then added to the tanks in a logarithmic series. This entry was originally reported in Linden et al 1979. However, the later report (Bengtsson et al 1984) is specific to the aliphatic alcohols which were tested and provides more detail. Result: RESULTS: EXPOSED LC50 = 120 mg/l Based on nominal concentrations RESULTS: CONTROL Number/% showing adverse effects: not reported Reliability: (2) valid with restrictions Not key study: Other studies (same reliability score) but showing greater toxicity are available 19-JUL-2005 (9) (34) Type: static Species: Brachydanio rerio (Fish, fresh water) Exposure period: 96 hour(s) Unit: mg/l Analytical monitoring: no LC50: = 144 Method: other: not specified Year: 1982 GLP: no data Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Insufficient test substance compositional data were reported for the test results to be reliably assigned to the CAS number. 20-OCT-2005 (80)


32

Unit: mg/l Analytical monitoring: no LC50: = 63.4 calculated Method: other Year: 2005 GLP: no Test substance: as prescribed by 1.1 - 1.4 Method: For all commercial alcohols, various chain lengths will be present, and the loading rate reported represents the sum of the predicted effects of all components that have been modelled to dissolve in the medium. For complex liquid mixtures, a model of solubility and effects of the components was set up. The effects of the dissolved components are summed, and a 'loading rate' found which is predicted to give the LC50 (expressed as the lethal loading rate LL50). Based on this model, the properties of the mixture can be predicted. input to this model is the compositional breakdown, which follows the description given in section 1.1-1.4. Reliability: (2) valid with restrictions The value was predicted using a multiple partitioning model, supported by additional validation. 21-DEC-2005 (2) 4.2 Acute Toxicity to Aquatic Invertebrates Type: static Species: Daphnia magna (Crustacea) Exposure period: 24 hour(s) Unit: mg/l Analytical monitoring: no EC0: = 152 EC50: = 201 EC100: = 270 Limit Test: no Method: other Year: 1982 GLP: no Test substance: as prescribed by 1.1 - 1.4 Result: RESULTS: EXPOSED EC0: 152 mg/l EC50: 201 mg/l E100: 270 mg/l Based on nominal concentration RESULTS: CONTROL Number/% showing adverse effects: Not reported Test condition: TEST ORGANISMS Strain: Daphnia magna Supplier: Laboratory culture Age:


33

STABILITY OF THE TEST CHEMICAL SOLUTIONS: no analysis DILUTION WATER Source: Standardised synthetic fresh water Aeration: None Alkalinity: Not reported Hardness: Not reported Conductance: Not reported TEST SYSTEM Concentrations: Range of test concentrations to achieve three or more responses between 0 and 100% Renewal of test solution: none Exposure vessel type: 50 ml flask Number of replicates: 2 Invertebrate per replicate: 10 Test temperature: 20 C Dissolved oxygen: oxygen saturated pH mean: 7.6 - 7.7 Adjustment of pH: none Intensity of irradiation: Not reported Photoperiod: 9 hours artificial lighting TEST PARAMETER: Mortality/immobility MONITORING OF TEST SUBSTANCE CONCENTRATION: None Reliability: (2) valid with restrictions Flag: Critical study for SIDS endpoint 21-JUL-2005 (15) Type: static Species: Nitocra spinipes (Crustacea) Exposure period: 96 hour(s) Unit: mg/l Analytical monitoring: no data LC50 : = 317 Limit Test: no Method: other Year: 1984 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Method: The acute mortality tests were carried out under static conditions. Tests were carried out in at least six concentrations and one control. Twenty invertebrates were exposed to each concentration. Water was maintained at pH 7.9 and 10 C. Remark: This entry was originally reported in Linden et al 1979. However, the later study (Bengtsson et al 1984) is specific to the aliphatic alcohols which were tested and provides more detail. Reliability: (2) valid with restrictions Not key study: Other studies (same reliability score) showing greater toxicity and with standard test organisms are available 19-JUL-2005 (9) (34) Type: static Species: other: tubifex tubifex (Oligochaeta) Exposure period: 3 minute(s) Unit: mg/l Analytical monitoring: EC50: = 110 Limit Test: no


34

Method: other Year: 1997 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Method: Test media were prepared by dilution of a stock solution. The acute immobilisation test was carried out under static conditions. The EC50 was based on counting the number of worms that stopped moving within 3 minutes of exposure to test medium. Reliability: (4) not assignable Documentation insufficient for assessment. Information obtained from the open literature. Only a brief description of the test method is given. 20-OCT-2005 (56) Unit: mg/l Analytical monitoring: no EC50: = 123.6 calculated Method: other Year: 2005 GLP: no Test substance: as prescribed by 1.1 - 1.4 Method: For all commercial alcohols, various chain lengths will be present, and the loading rate reported represents the sum of the predicted effects of all components that have been modelled to dissolve in the medium. For complex liquid mixtures, a model of solubility and effects of the components was set up. The effects of the dissolved components are summed, and a 'loading rate' found which is predicted to give the LC50 (expressed as the lethal loading rate LL50). Based on this model, the properties of the mixture can be predicted. A key input to this model is the compositional breakdown, which follows the description given in section 1.1-1.4. Reliability: (2) valid with restrictions The value was predicted using a multiple partitioning model, supported by additional validation. 21-DEC-2005 (2) 4.3 Toxicity to Aquatic Plants e.g. Algae Species: Selenastrum capricornutum (Algae) Endpoint: growth rate Exposure period: 72 hour(s) Unit: mg/l Analytical monitoring: yes NOEC: = 11.3 LOEC: = 31.2 EC10: = 19.8 EC50: = 79.7 Limit Test: no Method: OECD Guide-line 201 "Algae, Growth Inhibition Test" Year: 2005 GLP: yes Test substance: as prescribed by 1.1 - 1.4


35

Method: Test condition: TEST ORGANISMS Strain: Pseudokirchneriella subcapitata Source/Supplier: SAG, Culture Collection of Algae at Pflanzenphysiologisches Institut of the University at Göttingen, Albrecht von Haller Institut, Untere Klarspüle 2, D-37073 Göttingen, Catalog No 61.81. Pretreatment: The stock cultures were maintained fulfilling the criteria of the OECD guidelines. Prior to testing a pre-culture was established in test medium to obtain exponentially growing algae for the test. STOCK AND TEST SOLUTION AND THEIR PREPARATION A stock solution was prepared by adding 180 mg of the test substance to sterilized test medium and adjusting the volume to 1 L. The solution was stirred for 24 hours. The highest test concentration was diluted with sterilized growth medium to obtain the other four nominal test concentrations under sterile conditions: 7.7, 17, 37, 82 and 180 mg hexanol/L. ANALYSIS OF EXPOSURE CONCENTRATIONS Samples of fresh and old test media, with and without algae present were analysed to determine the concentration of the test substance. The analyte was extracted from the algae test samples by liquid-liquid partitioning with n-hexane. After shaking and settling the n-hexane extract was removed and the analyte derivatized using MSTFA. Measurement was performed by GC-MS in SIM mode using internal standard calibration with deuterated n-hexanol as internal standard. STABILITY OF TEST CHEMICAL SOLUTIONS The mean measured test concentrations varied in some cases by more than +/-20% of the nominal values. The results are therefore interpreted with respect to the mean measured values. DILUTION WATER Source: A sterilized synthetic growth medium according to OECD 201 Aeration: None reported Alkalinity: Not reported Hardness: Not reported Conductance: Not reported TEST SYSTEM Concentrations: 7.7, 17, 37, 82 and 180 mg hexanol/L (nominal), 4.72, 11.3, 31.2, 50.1 and 111.2 mg/L (mean measured with algae present), 5.48, 12.3, 29.3, 54.9 and 105.5 mg/L (mean measured without algae present) Renewal of test solution: None Exposure vessel type: Test vessels are 250 mL conical glass flasks covered with silicone-sponge caps. The vessels and caps were sterilized prior to use (autoclaving or heating). The cultures were resuspended continuously by shaking on a laboratory shaker (Incubation Shaker Multitron ®, INFORS, Switzerland). Number of replicates: Controls: Six replicate control cultures containing only culture medium and algal suspension under sterile conditions. Three replicates of each test


36

concentration. Initial cell concentration: 10,000 cells/mL. Test temperature: 22.0 - 22.2 °C Dissolved oxygen: Not reported pH: 8.52 - 8.58 (Controls), 8.08 - 8.40 (testconcentrations) Intensity of irradiation: 8000 Lux Photoperiod: Exposed to constant lighting. TEST PARAMETER: End point: Growth measured as changes in cell number that were subsequently analysed with respect to growth rate and biomass. Method of measurement: Cell concentrations were determined using an electronic particle counter (CASY 1 Model TT, Schärfe System, Reutlingen, Germany). The correctness of the electronic counts was checked by microscopically counting following internal standard operation procedures Result: Based on mean measured exposure concentrations EbC10: = 4.97 EbC50: = 20.5 LOEC: =


37

Vehicle, solvent: Not reported Concentration of vehicle, solvent: Not reported STABILITY OF TEST CHEMICAL SOLUTIONS Not reported DILUTION WATER Source: Standard algal medium Aeration: Not reported Alkalinity: Not reported Hardness: Not reported Conductance: Not reported TEST SYSTEM Concentrations: Not reported Renewal of test solution: Not reported Exposure vessel type: Culture tubes stoppered with cotton-lined metal caps Number of replicates: 3 Initial cell concentration: Quantity of cell material used for inoculation is determined turbidimetrically and is standardised. Test temperature: 27 C Dissolved oxygen: Not reported pH mean: Not reported Adjustment of pH: To neutral if required Intensity of irradiation: Not reported Photoperiod: Exposed to constant lighting by luminescent tubes (Osram L 40/30)2 in a central field between two lateral luminescent tubes at 60 cm distance from each other. TEST PARAMETER: Growth MONITORING OF TEST SUBSTANCE CONCENTRATION: Not reported Reliability: (3) invalid 11-OCT-2005 (13) Species: Scenedesmus quadricauda (Algae) Endpoint: biomass Exposure period: 8 day(s) Unit: mg/l Analytical monitoring: no data TT : = 30 Limit Test: no Method: other Year: 1978 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Reliability: (2) valid with restrictions Not key study: Other studies (same reliability scores) but with higher toxicity values are available. 29-DEC-2005 (12) (14) Species: Euglena sp. (Algae) Endpoint: growth rate Exposure period: 7 day(s) Unit: mg/l Analytical monitoring: LOEC: = 75 Method: other: not specified Year: 1980 GLP: no data


38

Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Insufficient test substance compositional data were reported for the test results to be reliably assigned to the CAS number. 20-OCT-2005 (11) Species: Scenedesmus quadricauda (Algae) Endpoint: growth rate Exposure period: 7 day(s) Unit: mg/l Analytical monitoring: no LOEC: = 30 Method: other: not specified Year: 1980 GLP: no data Remark: This is the concentration in which a 3% in extinction value occurred. Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Insufficient test substance compositional data were reported for the test results to be reliably assigned to the CAS number. 20-OCT-2005 (11) (14) Species: other algae: Chilomonas paramecium Endpoint: growth rate Exposure period: 48 hour(s) Unit: mg/l Analytical monitoring: no LOEC: = 18 Method: other: not specified Year: 1980 GLP: no data Source: RWE-DEA Aktiengesellschaft für Mineraloel und Chemie Hamburg Reliability: (4) not assignable This information was obtained from the public IUCLID 2000 CD-ROM. Insufficient test substance compositional data were reported for the test results to be reliably assigned to the CAS number. 20-OCT-2005 (11) Species: other algae: Enteromorpha intestinalis Endpoint: other: ion retention Exposure period: 2 minute(s) Unit: mg/l Analytical monitoring: no data EC50: = 400 Method: other Year: 1980 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Method: Samples of E. intestinalis comprising several pieces of thallus from different specimens (total weight 1 g) were risnsed once in distilled water for 3 seconds then placed in


39

50 ml of distilled water in a beaker and left for 2 min (sample 1). The E. intestinalis was then transferred to lidded bottles containing a further 50 ml of distilled water then placed in a boiling water bath. After 5 min the bottles were removed from the bath and the contents poured through a plastic sieve into a 100 ml beaker (sample 2). The alga was discarded. The conductivity of samples 1 and 2 was measured and used to derive an ion retention health index. This index reflects the proportion of the total leechable ions present in the thallus which were retained after exposure to distilled water for 2 mins. The index was calculated by dividing the conductivity of sample 2 by the total conductivity (i.e. sample 1 + sample 2). Reliability: (2) valid with restrictions Not key study: Other studies (same reliability scores) but with lower effect values are available. 20-OCT-2005 (57) 4.4 Toxicity to Microorganisms e.g. Bacteria Type: aquatic Species: Pseudomonas putida (Bacteria) Exposure period: 16 hour(s) Unit: mg/l Analytical monitoring: no data TT or EC3 : = 62 Method: other Year: 1980 GLP: no data Test substance: as prescribed by 1.1 - 1.4 Remark: The multiplication of bacterial cells of the genus Pseudomonas is inhibited by dissolved toxic water ingredients. After a certain period the increase in the number of cells in a test culture free from toxic influence and with a standardized offer of nutrients will exceed that observed in a test culture containing dissolved toxic substances and kept under identical conditions. The concentration of the bacterial suspension is measured turbidimetrically (while diffused light is screened off); it is expressed by the extinction of the primary light of the monochromatic radiation at 436 nm for a layer of 10 mm thickness. The concentration at which the inhibitory action of a pollutant starts will be present in that step of a dilution series of the pollutant having an extinction value at the end of the test period that is >= 3% below the mean value of extinction for non-toxic dilutions of the test cultures. Test condition: TEST ORGANISMS Supplier: Stock cultures STOCK AND TEST SOLUTION AND THEIR PREPARATION Dispersion: Not reported Vehicle, solvent: Not reported Purity/supplier: Not reported DILUTION WATER Source: Not reported Alkalinity: Not reported Hardness: Not reported Conductance: Not reported


40

TEST SYSTEM Concentrations: Not reported Dosing rate: Not reported Exposure vessel type: 300 ml Erlenmeyer flasks Number of replicates: 3 Test temperature: 25 C Dissolved oxygen: Not reported pH mean: Not reported Adjustment of pH: None MONITORING OF TEST SUBSTANCE CONCENTRATION: Not reported Reliability: (2) valid with restrictions Best study although not a SIDS endpoint. 19-JUL-2005

sids initial assessment report for siam 22 tome 2: sids ... · oecd sids long chain alcohols 1 sids...

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