ChemicalBook--->CAS DataBase List--->868-57-5

868-57-5

868-57-5 Structure

868-57-5 Structure
IdentificationMore
[Name]

Methyl 2-methylbutyrate
[CAS]

868-57-5
[Synonyms]

2-METHYLBUTYRIC ACID METHYL ESTER
DL-2-METHYLBUTYRIC ACID METHYL ESTER
DL-METHYLBUTYRIC ACID METHYL ESTER
FEMA 2719
METHYL-2-METHYLBUTANOATE
METHYL 2-METHYLBUTYRATE
METHYL DL-2-METHYLBUTYRATE
METHYL METHYLETHYLACETATE
2-methyl(methyl butanoate)
2-methyl-butanoicacimethylester
Butanoicacid,2-methyl-,methylester
Butyric acid, 2-methyl-, methyl ester
Methyl alpha-methylbutanoate
Methyl alpha-methylbutyrate
Methyl ester of 2-methyl-butanoic acid
METHYL 2-METHYLBUTYRATE 98+% FCC
METHYL 2-METHYLBUTYRATE 98+% NATURAL &
Methyl2-methylbutyrate,98%
methylmethylbutyrate,methyl2-methylbutanoate
Methyl-2-methylbutyrat
[EINECS(EC#)]

212-778-0
[Molecular Formula]

C6H12O2
[MDL Number]

MFCD00009335
[Molecular Weight]

116.16
[MOL File]

868-57-5.mol
Chemical PropertiesBack Directory
[Melting point ]

-91°C (estimate)
[Boiling point ]

115 °C (lit.)
[density ]

0.88 g/mL at 25 °C(lit.)
[FEMA ]

2719
[refractive index ]

n20/D 1.393(lit.)
[Fp ]

90 °F
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

Very slightly soluble in water, soluble in alcohol and oils.
[form ]

Liquid
[color ]

Colorless to Almost colorless
[Odor]

at 10.00 % in dipropylene glycol. ethereal estery fruity tutti frutti green apple lily of the valley powdery fatty
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

205
[BRN ]

1720409
[Cosmetics Ingredients Functions]

PERFUMING
[InChI]

1S/C6H12O2/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3
[InChIKey]

OCWLYWIFNDCWRZ-UHFFFAOYSA-N
[SMILES]

CCC(C)C(=O)OC
[LogP]

1.59
[CAS DataBase Reference]

868-57-5(CAS DataBase Reference)
[NIST Chemistry Reference]

Butanoic acid, 2-methyl-, methyl ester(868-57-5)
[EPA Substance Registry System]

868-57-5(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P240-P241-P242-P243
[Risk Statements ]

R10:Flammable.
R11:Highly Flammable.
[Safety Statements ]

S16:Keep away from sources of ignition-No smoking .
S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S33:Take precautionary measures against static discharges .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

2
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

II
[HS Code ]

29159000
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Carbon monoxide-->Isobutylene
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Methyl 2-methylbutyrate(868-57-5).msds
Hazard InformationBack Directory
[Description]

Methyl 2-methylbutyrate has a pungent, fruity odor with a sweet, fruity, apple-like taste at low levels. May be prepared from a mixture of esters including methyl 2-methylbutyrate; is obtained from isobutene, CO, and methanol under pressure, or from butene, CO, and an acid catalyst under pressure.
[Chemical Properties]

Methyl-2-methylbutyrate has a sweet, fruity, apple-like odor and an apple-like taste at low concentrations.
[Occurrence]

The levorotatory and the racemic forms are known. Reported found in fresh strawberry juice, apple, apricot, sour cherry, melon, pineapple, peas, baked potato, peppermint oil, spearmint oil, thymus, durian (Durio zibethinus), olive, mushroom, starfruit, prickly pear, dill herb, cashew apple, cherimoya, loquat, mountain papaya, cape gooseberry and rooibus tea (Aspalathus linearis). bilberry, strawberry, and cheeses
[Uses]

DL-2-Methylbutyric Acid Methyl Ester is a volatile compound found in pineapples.
[Definition]

ChEBI: Methyl (S)-2-Methylbutanoate is a fatty acid ester.
[Preparation]

A mixture of esters including methyl-2-methylbutyrate is obtained from isobutene, CO and methanol under pressure, or from butene, CO and an acid catalyst under pressure.
[Aroma threshold values]

Detection: 0.92 to 4.4 ppb
[Taste threshold values]

Taste characteristics at 7.5 ppm: sweet, berry, pineapple, etherial, lifting, fruity, tutti-fruitti and ripe with a fatty, green nuance
[General Description]

Methyl 2-methylbutyrate is an important odor-active constituent of pineapple, apple, cantaloupe, cucumber and strawberries.
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 2-methylbutyrate(868-57-5)1HNMR
Methyl 2-methylbutyrate(868-57-5)IR
Methyl 2-methylbutyrate(868-57-5)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Methyl 2-methylbutyrate, 98%(868-57-5)
[Sigma Aldrich]

868-57-5(sigmaaldrich)
[TCI AMERICA]

Methyl DL-2-Methylbutyrate,>98.0%(GC)(868-57-5)
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