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Hexyl isovalerate

Hexyl isovalerate structure

CAS No:
10032-13-0
Formula:
C11H22O2
Chemical Name:
Hexyl isovalerate
Synonyms:
Butanoic acid,3-methyl-,hexyl ester;Isovaleric acid,hexyl ester;Hexyl isovalerate;n-Hexyl isovalerate;3-Methylbutyric acid hexyl ester;n-Hexyl isopentanoate;Hexyl 3-methylbutanoate;Hexyl isopentanoate;Hexyl 3-methylbutyrate;3-Methylbutanoic acid hexyl ester
Categories:
Cosmetic Ingredient > Perfuming

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Description

colourless liquid/pungent, fruity odour

Hexyl 3-methylbutanoate is a fatty acid ester.

Hexyl isovalerate Basic Attributes

Molecular Weight：

186.29118

Exact Mass：

186.29

EC Number：

233-105-7

UNII：

5FJ2M7YCY6

DSSTox ID：

DTXSID4064921

HScode：

2915900090

Characteristics

PSA：

26.30000

XLogP3：

3.15600

Appearance：

Colorless liquid with fruitee

Density：

0.87g/cm3

Melting Point：

-63.1°C (estimate)

Boiling Point：

215 °C(lit.)

Flash Point：

190 °F

Refractive Index：

n20/D 1.419

Water Solubility：

12.56 mg/L @ 25 °C (est)|soluble in alcohol, most fixed oils; insoluble in water

Vapor Pressure：

0.158mmHg at 25°C

Safety Information

wgk germany：

RTECS Number：

EK7908500

Precautionary statement(s)：

P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362

Hazard Statements：

H315

GHS Classification：

Not Classified

Hexyl isovalerate Use and Manufacturing

Methods of Manufacturing

It is formed by esterification of n-hexanol and 2-methyl butyrate.

Uses

GB 2760-96 stipulates that it is temporarily allowed to use food flavors. It is mainly used to prepare black pepper and spicy flavors without spiciness, as well as flavors such as apples, bananas, pears and tropical fruits.

Manufacturing Info：

Butanoic acid, 3-methyl-, hexyl 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:186.29
XLogP3:3.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:186.161979940
Monoisotopic Mass:186.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:130
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Hexyl isovalerate

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

Hexyl isovalerate

SDS

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