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ChemicalBook--->CAS DataBase List--->2445-77-4

2445-77-4

2445-77-4 Structure

2445-77-4 Structure
IdentificationBack Directory
[Name]

2-Methylbutyl isovalerate
[CAS]

2445-77-4
[Synonyms]

FEMA 3506
2-METHYLBUTYL ISOVALERATE
METHYL-2-BUTYL-ISO-VALERATE
2-METHYLBUTYL-3-METHYLBUTYRATE
2-METHYLBUTYL 3-METHYLBUTANOATE
2-METHYLBUTYL ISOVALERATE NATURAL
2-METHYLBUTYL ISOVALERATE 98+% FCC
Isovaleric acid, 2-methylbutyl ester
Natural 2-Methylbutyl Isovalerate
3-methyl-butanoicaci2-methylbutylester
3-methylbutyric acid 2-methylbutyl ester
Butanoicacid,3-methyl-,2-methylbutylester
3-Methylbutanoic acid, 2-methylbutyl ester
Butanoic acid, 3-methyl-, 2-methylbutyl ester
2-Methylbutyl isovalerate,2-Methylbutyl 3-methylbutanoate
2-methylbutyl isovalerate (2-methylbutyl-3-methyl butyrate)
[EINECS(EC#)]

219-496-7
[Molecular Formula]

C10H20O2
[MDL Number]

MFCD00209537
[MOL File]

2445-77-4.mol
[Molecular Weight]

172.26
Chemical PropertiesBack Directory
[Appearance]

Colorless liquid; herbaceous, fruity odor.Sol in alc, fixed oils; insol in water.
[Melting point ]

-68.47°C (estimate)
[Boiling point ]

191-195 °C(lit.)
[density ]

0.858 g/mL at 25 °C(lit.)
[FEMA ]

3506 | 2-METHYLBUTYL 3-METHYLBUTANOATE
[refractive index ]

n20/D 1.414(lit.)
[Fp ]

143 °F
[solubility ]

Insoluble in water, soluble in alcohol and oils.
[color ]

Colorless liquid.
[Odor]

at 100.00 %. herbal fruity earthy cheese apple green
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

204
[LogP]

3.53
[Uses]

Food additive.
[CAS DataBase Reference]

2445-77-4
[NIST Chemistry Reference]

Butanoic acid, 3-methyl-, 2-methylbutyl ester(2445-77-4)
[EPA Substance Registry System]

Butanoic acid, 3-methyl-, 2-methylbutyl ester(2445-77-4)
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid; herbaceous, fruity odor.Sol in alc, fixed oils; insol in water.
[Description]

2-Methylbutyl isovalerate has a herbaceous, fruity, somewhat earthy fragrance with a sweet, herbaceous, fruity flavor. May be prepared by direct esterification of 2-methylbutanol with isovaleric acid.
[Occurrence]

Reported found in tomato, peppermint and oil, Scotch spearmint oils, cheddar cheese, hop oil, sherry, quince, jackfruit and whiskey.
[Definition]

ChEBI: 2-Methylbutyl 3-methylbutanoate is a fatty acid ester.
[Preparation]

By direct esterification of 2-methylbutanol with isovaleric acid.
[Aroma threshold values]

Detection: 24 ppb
[Taste threshold values]

Taste characteristics at 5 to 15 ppm: fruity, estery with a berry-apple and tutti-frutti nuance.
Safety DataBack Directory
[WGK Germany ]

3
Spectrum DetailBack Directory
[Spectrum Detail]

2-Methylbutyl isovalerate(2445-77-4)1HNMR
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