Ethyl 3-Methylbutyrate

Product Name:

Ethyl 3-methylbutyrate

CAS:

108-64-5

MF:

C7H14O2

MW:

130.18

EINECS:

203-602-3

Mol File:

108-64-5.mol

Melting point 

-99 °C

Boiling point 

131-133 °C(lit.)

density 

0.864 g/mL at 25 °C(lit.)

vapor pressure 

7.5 mm Hg ( 20 °C)

refractive index 

n20/D 1.396(lit.)

FEMA 

2463 | ETHYL ISOVALERATE

Fp 

80 °F

storage temp. 

Flammables area

solubility 

2.00g/l

form 

Liquid

color 

Clear colorless to pale yellow

Odor Threshold

0.000013ppm

Merck 

14,3816

JECFA Number

196

BRN 

1744677

CAS DataBase Reference

108-64-5(CAS DataBase Reference)

NIST Chemistry Reference

Butanoic acid, 3-methyl-, ethyl ester(108-64-5)

EPA Substance Registry System

Ethyl isovalerate (108-64-5)

Risk Statements 

10

Safety Statements 

16

RIDADR 

UN 3272 3/PG 3

WGK Germany 

2

RTECS 

NY1504000

F 

13

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29156000

Description

Ethyl isovalerate is the ethyl ester form of isovalerate formed between ethyl alcohol with isovaleric acid. It is a derivative of valeric acid, mainly found in fruits (one of the major component of blueberry). It is a kind of natural food flavoring agent with a fruity type odor and flavor. It is widely used in perfumery and fragrance. It is now frequently synthesized using surfactant-coated lipase (various kinds of origins) immobilized in magnetic nanoparticles.

Chemical Properties

clear colorless to pale yellowish liquid

Chemical Properties

Ethyl Isovalerate is a colorless liquid with a fruity odor reminiscent of blueberries. It occurs in fruits, vegetables, and alcoholic beverages. It is used in fruit aroma compositions.

Chemical Properties

Ethyl isovalerate has a strong, fruity, vinous, apple-like odor on dilution.

Uses

In alcohol solution for flavoring confectionery and beverages.

Definition

ChEBI: The fatty acid ethyl ester of isovaleric acid.

Production Methods

Ethyl isovalerate is produced by combining isovaleric acid and ethanol in the presence of concentrated sulfuric acid or hydrochloric acid ester followed by distillation .

Production Methods

Ethyl isovalerate is produced by combining isovaleric acid and ethanol in the presence of concentrated sulfuric acid or hydrochloric acid ester followed by distillation.

Preparation

By esterification of isovaleric acid with ethyl alcohol in the presence of concentrated H2SO4.

Aroma threshold values

Detection: 0.01 to 0.4 ppb

Taste threshold values

Taste characteristics at 30 ppm: fruity, sweet, estry and berry-like with a ripe, pulpy fruity nuance.

General Description

A colorless oily liquid with a strong odor similar to apples. Less dense than water. Vapors heavier than air. Flash point 77°F. May mildly irritate skin and eyes.

Air & Water Reactions

Highly flammable. Slightly soluble in water.

Reactivity Profile

ETHYL ISOVALERATE is an ester. Esters react with acids to liberate heat along with alcohols and acids. Strong oxidizing acids may cause a vigorous reaction that is sufficiently exothermic to ignite the reaction products. Heat is also generated by the interaction of esters with caustic solutions. Flammable hydrogen is generated by mixing esters with alkali metals and hydrides.

Health Hazard

Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Carcinogenicity

Not listed by ACGIH, California Proposition 65, IARC, NTP, or OSHA.

Purification Methods

Wash the ester with aqueous 5% Na2CO3, then saturated aqueous CaCl2. Dry it over CaSO4 and distil. [Beilstein 2 IV 898.]

Raw materials

Etanol-->Isobutyronitrile-->Isovaleric acid