methyl butyrate - wikipedia

Methyl butyrate [1] Names IUPAC name Methyl butanoate Other names Butyric acid methyl ester Identifiers CAS Registry Number 623-42-7 ChemSpider 11680 EC n umbe r 210-7 92-1 Jmol-3D images Image (http://chemapps.stolaf.edu/jmol/jmol.php? model=CCCC%28%3DO%29OC) MeSH C043811 PubC hem 12180 RTECS number ET5500000 Properties Chemical formula C 5 H 10 O 2 Molar mas s 102.13 g·mol−1 Appea rance Colorless liquid Density Methyl butyrate From Wik ipedia, the free encyclopedia Methyl butyrate, also known under the systematic name methyl butanoate, is the methyl ester of but yric acid. Like most esters, it has a fruity odor, in this case resembling apples or pineapples. [2] At room temperature, it is a colorless liquid with low solubility in water, upon which it floats to form an oily layer. Although it is flammable, it has a relatively low va por pressure (40 mmHg at 30 °C (86 °F)), so it can be safely handled at room temperature without special safety precautions. [3] Methyl butyrate is present in small amounts in several plant products, especially pineapple oil. [4] It can be produced by distillation from essential oils of vegetable origin, but is also manufactured on a small scale for use in perfumes [5] and as a food flavoring. Methyl butyrate has been used in combustion studies as a surrogate fuel for the larger fatty acid methyl esters found in biodiesel. [6] However, studies have shown that, due to its short-chain length, methyl butyrate does not reproduce well the negative tem perature coefficient (NTC) behaviour and early CO 2 formation characteristics of real biodiesel fuels. Therefore, methyl butyrate is not a suitable surrogate fuel for biodiesel com bustion studies. [7] References 1. Merck Index , 13th Edition 2. Methyl butyrate InChI SMILES

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7/4/2015 MethylbutyrateWikipedia,thefreeencyclopedia

https://en.wikipedia.org/wiki/Methyl_butyrate 1/2

Methylbutyrate[1]

Names

IUPACnameMethylbutanoate

OthernamesButyricacidmethylester

IdentifiersCASRegistryNumber

623427

ChemSpider 11680

ECnumber 2107921

Jmol3Dimages

Image(http://chemapps.stolaf.edu/jmol/jmol.php?model=CCCC%28%3DO%29OC)

MeSH C043811

PubChem 12180

RTECSnumber

ET5500000

PropertiesChemicalformula

C5H10O2

Molarmass 102.13gmol1

Appearance Colorlessliquid

Density

MethylbutyrateFromWikipedia,thefreeencyclopedia

Methylbutyrate,alsoknownunderthesystematicnamemethylbutanoate,isthemethylesterofbutyricacid.Likemostesters,ithasafruityodor,inthiscaseresemblingapplesorpineapples.[2]Atroomtemperature,itisacolorlessliquidwithlowsolubilityinwater,uponwhichitfloatstoformanoilylayer.Althoughitisflammable,ithasarelativelylowvaporpressure(40mmHgat30C(86F)),soitcanbesafelyhandledatroomtemperaturewithoutspecialsafetyprecautions.[3]

Methylbutyrateispresentinsmallamountsinseveralplantproducts,especiallypineappleoil.[4]Itcanbeproducedbydistillationfromessentialoilsofvegetableorigin,butisalsomanufacturedonasmallscaleforuseinperfumes[5]andasafoodflavoring.

Methylbutyratehasbeenusedincombustionstudiesasasurrogatefuelforthelargerfattyacidmethylestersfoundinbiodiesel.[6]However,studieshaveshownthat,duetoitsshortchainlength,methylbutyratedoesnotreproducewellthenegativetemperaturecoefficient(NTC)behaviourandearlyCO2formationcharacteristicsofrealbiodieselfuels.Therefore,methylbutyrateisnotasuitablesurrogatefuelforbiodieselcombustionstudies.[7]

References1. MerckIndex,13thEdition2. Methylbutyrate

InChI

SMILES
7/4/2015 MethylbutyrateWikipedia,thefreeencyclopedia

https://en.wikipedia.org/wiki/Methyl_butyrate 2/2

0.898g/cm3

Meltingpoint

95C(139F178K)

Boilingpoint

102C(216F375K)

Solubilityinwater

1.5g/100mL(22C)

Refractiveindex(nD)

1.386

Hazards

NFPA704

Flashpoint 12C(54F285K)Exceptwhereotherwisenoted,dataaregivenformaterialsintheirstandardstate(at25C[77F],100kPa).

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Infoboxreferences

(http://www.thegoodscentscompany.com/data/rw1008721.html),thegoodscentscompany.com3. AldrichChemicalsHandbook,SigmaAldrichCompany,Milwaukee,(2007)4. Flath,RobertA.Forrey,R.R.(1970)."VolatilecomponentsofSmoothCayennepineapple".Journalof

AgriculturalandFoodChemistry18(2):306309.doi:10.1021/jf60168a018(https://dx.doi.org/10.1021%2Fjf60168a018).

5. Useofmethylbutyrateasanadditiveinperfume(http://ec.europa.eu/enterprise/cosmetics/inci/fragalfm.htm)6. Methylbutyrateasacomponentofbiodiesel

(http://www.ingentaconnect.com/content/pep/ije/2004/00000005/00000004/art00002)7. Gal,S.Thomson,M.J.Sarathy,S.M.Syed,S.A.Dagaut,P.Divart,P.Marchese,A.J.Dryer,F.L.(2007).

"Awiderangingkineticmodelingstudyofmethylbutanoatecombustion".ProceedingsoftheCombustionInstitute31:305.doi:10.1016/j.proci.2006.08.051(https://dx.doi.org/10.1016%2Fj.proci.2006.08.051).

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Categories: Methylesters Butyrates Perfumeingredients Flavors

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