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2-Methylbutyl isovalerate

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

Molecular Weight：

172.26500

Exact Mass：

172.26

EC Number：

219-496-7

DSSTox ID：

DTXSID4041440

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

2.62180

Appearance：

colourless liquid

Density：

0.858

Melting Point：

-68.47°C (estimate)

Boiling Point：

185ºC at 760 mmHg

Flash Point：

62ºC

Refractive Index：

1.414

Water Solubility：

44.59 mg/L @ 25 °C (est)

Vapor Pressure：

0.713mmHg at 25°C

Safety Information

wgk germany：

2-Methylbutyl isovalerate Use and Manufacturing

Uses

Food additive.

Manufacturing Info：

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

Use Classification：

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]

Food Additive Classes：

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

Learn More Other Chemicals

Benzoic acid, 4-Methyl-, 2-Methylbutyl ester

137619-80-8
2-Methylbutyl butyrate

51115-64-1
Heptanoic acid, 2-methylbutyl ester, (S)-

55195-33-0
2-Methylbutyl formate Formula

35073-27-9
Nonanoic acid, 2-methylbutyl ester Formula

69205-08-9
3-Phenylpropyl isovalerate Formula

6947-66-6
Geranyl isovalerate Structure

109-20-6
2-Methylbutyl 2-methylbutanoate Structure

2445-78-5
What is Phenylethyl isovalerate

140-26-1
What is Menthyl isovalerate

16409-46-4

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Guide of 2-Methylbutyl isovalerate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Learn More Other Chemicals

2-Methylbutyl isovalerate

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