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Home > Encyclopedia > 2-Methylbutyl isovalerate

2-Methylbutyl isovalerate

2-Methylbutyl isovalerate structure

2-Methylbutyl isovalerate 

structure
  • CAS No:

    2445-77-4

  • Formula:

    C10H20O2

  • Chemical Name:

    2-Methylbutyl isovalerate

  • Synonyms:

    Butanoic acid,3-methyl-,2-methylbutyl ester;Isovaleric acid,2-methylbutyl ester;2-Methylbutyl isovalerate;2-Methylbutyl 3-methylbutyrate;3-Methylbutyric acid 2-methylbutyl ester;2-Methylbutyl 3-methylbutanoate

  • Categories:

    Cosmetic Ingredient  >  Perfuming

Description

2-Methylbutyl-3-methylbutanoate has an herbaceous, fruity,somewhat earthy fragrance and a sweet, herbaceous, fruity flavor. Colorless liquid; herbaceous, fruity odor.Sol in alc, fixed oils; insol in water.


colourless liquid


2-Methylbutyl 3-methylbutanoate is a fatty acid ester.

2-Methylbutyl isovalerate Basic Attributes

172.26500

172.26

219-496-7

DTXSID4041440

2915900090

Characteristics

26.30000

2.62180

colourless liquid

0.858

-68.47°C (estimate)

185ºC at 760 mmHg

62ºC

1.414

44.59 mg/L @ 25 °C (est)

0.713mmHg at 25°C

Safety Information

3

2-Methylbutyl isovalerate Use and Manufacturing

Uses

Food additive.

Butanoic acid, 3-methyl-, 2-methylbutyl ester: ACTIVE

Food additives -> Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT; -> JECFA Functional Classes|Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:172.26
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:130
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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