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Home > Encyclopedia > 3-Hexenyl isovalerate

3-Hexenyl isovalerate

3-Hexenyl isovalerate structure

3-Hexenyl isovalerate 

structure
  • CAS No:

    10032-11-8

  • Formula:

    C11H20O2

  • Chemical Name:

    3-Hexenyl isovalerate

  • Synonyms:

    Butanoic acid,3-methyl-,3-hexen-1-yl ester;Isovaleric acid,3-hexenyl ester;Butanoic acid,3-methyl-,3-hexenyl ester;3-Hexenyl isovalerate;3-Hexen-1-yl 3-methylbutanoate;3-Hexen-1-yl isovalerate

  • Categories:

    Flavors and Fragrances  >  Synthetic Fragrances

Description

3-Hexenyl isovalerate has a powerful, sweet, green odor of apple and a buttery, apple-like taste. This substance may be synthesized by esterification of ds-3-hexenol with isovaleric acid.


colourless liquid/swet, apple-like odour

3-Hexenyl isovalerate Basic Attributes

184.28

184.28

252-404-3

DTXSID9064920

Characteristics

26.30000

2.93200

0.874 g/mL at 25 °C(lit.)

98 °C15 mm Hg(lit.)

140 °F

n 20/D 1.432(lit.)

soluble in alcohool, most fixed oils; insolouble- water

0.0613mmHg at 25°C

Safety Information

UN 3272 3/PG 3

2

NY1505000

3-Hexenyl isovalerate Use and Manufacturing

Methods of Manufacturing

It is formed by esterification of cis-3-hexenol and isovalerate.

Uses

GB 2760-96 stipulates the allowable food flavors. It is mainly used to prepare strawberry and melon flavors.

Butanoic acid, 3-methyl-, 3-hexen-1-yl ester: ACTIVE

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:184.27
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:184.146329876
Monoisotopic Mass:184.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:160
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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