2-Methylbutyl 2-methylbutyrate Chemical Properties

Boiling point:

70-72 °C11 mm Hg(lit.)

Density 

0.855 g/mL at 25 °C(lit.)

refractive index 

n20/D 1.411-1.417(lit.)

FEMA 

3359 | 2-METHYLBUTYL 2-METHYLBUTYRATE

Flash point:

153 °F

form 

clear liquid

color 

Colorless to Light yellow

Odor

at 10.00 % in dipropylene glycol. sweet fruity ester berry green waxy apple

Odor Type

fruity

JECFA Number

212

LogP

3.53

CAS DataBase Reference

2445-78-5(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 2-methyl-, 2-methylbutyl ester(2445-78-5)

EPA Substance Registry System

2-Methylbutyl 2-methylbutyrate (2445-78-5)

Safety Information

Hazard Codes 

N

Risk Statements 

51/53

Safety Statements 

61

RIDADR 

UN 3082 9/PG 3

WGK Germany 

3

HS Code 

29156000

MSDS

• Language:English Provider:SigmaAldrich

2-Methylbutyl 2-methylbutyrate Usage And Synthesis

Description

2-Methylbutyl 2-methylbutyrate is like fruit, berry, and apple. May be prepared by esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C.

Chemical Properties

2-Methylbutyl-2-methyl butyrate has a fruity, berry, apple like aroma.

Occurrence

Reported found as a component in the essential oil of hops (Humulus lupulus); also as the odorous component in Vaccinium vitis-idaea and in cocoa beans. Also reported found in apple, apricot, feyoa fruit (Feijoa sellowiana), melon, peppermint oil, spearmint oil, filberts, lovage leaf, myrtle leaf and berry and Roman chamomile oil

Preparation

By esterification of 2-methylbutanoic acid with 2-methyl-1-butanol; by condensation of isobutyraldehyde at 120°C

Definition

ChEBI: 2-Methylbutyl 2-methylbutanoate is a fatty acid ester.

Taste threshold values

Taste characteristics at 30 ppm: sweet, fruity, pineapple character, estery with green, waxy and woody nuances

Synthesis Reference(s)

The Journal of Organic Chemistry, 52, p. 4319, 1987 DOI: 10.1021/jo00228a032

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