2-methyl butyric acid

2-methylbutyric acid

CAS: 116-53-0 C5 H10 O2 MW: 102.13310000 acidic fruity

Identification

Name2-methyl butyric acid
IUPAC2-methylbutanoic acid
CAS Number116-53-0
EINECS204-145-2
FDA UNIIPX7ZNN5GXK
Molecular FormulaC5 H10 O2
Molecular Weight102.13310000
MDL NumberMFCD00002669
Nikkaji NumberJ2.000A
Beilstein1720486
CoE Number2002
XlogP31.20 (est)

Regulatory

JECFA Food Flavoring255 2-methylbutyric acid
DG SANTE Food Flavourings08.046 2-methylbutyric acid
FEMA Number2695
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)116-53-0 ; 2-METHYLBUTYRIC ACID
FDA RegulationFDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.92900 to 0.93700 @ 25.00 °C.
Pounds per Gallon - (est). 7.730 to 7.797
Refractive Index 1.40100 to 1.40800 @ 20.00 °C.
Boiling Point 176.00 to 177.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.554000 mmHg @ 25.00 °C. (est)
Vapor Density 3.5 ( Air = 1 )
Flash Point 165.00 °F. TCC ( 73.89 °C. )
logP (o/w) 1.180
Shelf Life 6.00 month(s) or longer if stored properly.
Storage refrigerate in tightly sealed containers.
Soluble in alcohol
Insoluble in water

Cosmetic Information

CosIngcosmetic data
Cosmetic Usesperfuming agents

Organoleptic Properties

Odor Strength medium ,
Substantivity 244 hour(s) at 100.00 %
Odor Description
at 10.00 % in propylene glycol.
Acidic, fruity, dirty, cheesey with a fermented nuance
fruity, sour, cheesy
pungent acid roquefort cheese
Pungent acrid odor similar to Roquefort cheese
acidic, caprylic, sweat-like, somewhat cheesy
Pungent acridic cheesy
Odor sample from Harrmann & Reimer Corporation
Taste Description
at 10.00 ppm.
creamy
acidic taste, becoming fruity at concentrations below 10 ppm
fruity, sour, cheesy in dilution; acidic, sweaty, berry-like
Nice fruity taste in dilution

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 3200 mg/kg
Dermal Toxicityskin-rabbit LD50 10 ml/kg
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavor and fragrance agents
RIFM Fragrance Material Safety AssessmentSearch
Recommendation for 2-methyl butyric acid usage levels up to0.0200 % in the fragrance concentrate.
Structure ClassI
baked goods-
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes-
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies-
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups-
sugar substitutes-
sweet sauces-

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H. Interdonati, Inc.

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Indukern, S.A. F&F Ingredients Division

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Lluch Essence S.L.

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M&U International LLC

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Chemical specialist in manufacturing, distributing and sourcing of tailor-made ingredients for the Flavour & Fragrance industry.

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Robertet, Inc.

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Symrise AG

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Potential Uses

FL/FR angelica FR berry FL brown FR butter FL cheese roquefort cheese FL chocolate cocoa FR cranberry FR cream FL dairy FL fermented FR fruit FR huckleberry FR pineapple FR raspberry FL savory FR strawberry

Natural Occurrence

angelica root apple fruit PMC apricot fruit apricot plant beer PMC bilberry fruit bilberry fruit juice blueberry fruit juice brandy grape brandy PMC burdock root cassia plant cayenne fruit cider PMC cocoa coffee PMC cranberry fruit pepper bell pepper fruit raspberry red raspberry fruit rum PMC safflower flower strawberry wild strawberry fruit tobacco vinegar whiskey

Synonyms

ethyl methyl acetic acid ethylmethyl acetic acid 2- methyl butanoic acid (1)-2- methyl butyric acid alpha- methyl butyric acid D-2- methyl butyric acid methyl butyric acid (2) 2- methyl butyric acid (natural) 2- methyl butyric acid natural 2- methyl butyric acid synthetic methyl butyric acid synthetic methyl butyric acid-2 natural methyl ethyl acetic acid methyl-2 butyric acid methyl-2 butyric acid natural methyl-2-butyric acid FCC 2- methylbutanoic acid 2- methylbutyric acid nat.2- methylbutyric acid nat.D-2- methylbutyric acid 2- methylbutyric acid (natural) 2- methylbutyric acid natural 2- methylbutyric acid natural (optically active) 2- methylbutyric acid pure methylethyl acetic acid Perfumer & Flavorist: Flavor Bites: 2-Methyl Butyric Acid PubMed: In-tube Extraction and GC-MS Analysis of Volatile Components from Wild and Cultivated sea buckthorn (Hippophae rhamnoides L. ssp. Carpatica) Berry Varieties and Juice. 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PubMed: Larval osmeterial secretions of the swallowtails (Papilio). PubMed: Adenosine 5'-triphosphate- yielding pathways of branched-chain amino acid fermentation by a marine spirochete. PubMed: Carboxylesterases-amidases. PubMed: Studies of the glycine metabolism in a patient with D-glyceric acidemia and hyperglycinemia. PubMed: Excretion pattern of branched-chain amino acid metabolites during the course of acute infections in a patient with methylmalonic acidaemia. PubMed: Biochemical studies in a patient with defects in the metabolism of acyl-CoA and sarcosine: another possible case of glutaric aciduria type II. PubMed: Inhibition of the glycine cleavage system by branched-chain amino acid metabolites. PubMed: Production of branched-chain volatile fatty acids by certain anaerobic bacteria. PubMed: Demonstration of a new mammalian isoleucine catabolic pathway yielding an Rseries of metabolites. 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