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Hexyl isobutyrate

Hexyl isobutyrate structure

CAS No:
2349-07-7
Formula:
C10H20O2
Chemical Name:
Hexyl isobutyrate
Synonyms:
Propanoic acid,2-methyl-,hexyl ester;Isobutyric acid,hexyl ester;Hexyl isobutyrate;n-Hexyl isobutyrate;1-Hexyl isobutyrate;Hexyl isobutanoate;n-Hexyl iso-butyrate;Hexyl 2-methylpropionate;Hexyl 2-methylpropanoate;NSC 46108
Categories:
Cosmetic Ingredient > Perfuming

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Description

Hexyl isobutyrate has a powerful, somewhat harsh, fruity aroma.

Hexyl 2-methylpropanoate is a carboxylic ester.

Hexyl isobutyrate Basic Attributes

Molecular Weight：

172.26

Exact Mass：

172.26

EC Number：

219-075-8

UNII：

5FC79GHU69

NSC Number：

46108

DSSTox ID：

DTXSID2047519

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

3.5

Appearance：

Colorless liquid with fresh apple-pineapple like odor

Density：

0.8700 g/cm³ @ Temp: 20 °C

Melting Point：

-78°C (estimate)

Boiling Point：

199 °C @ Press: 760 Torr

Flash Point：

164 °F

Refractive Index：

1.413

Water Solubility：

very slightly

Vapor Pressure：

0.413mmHg at 25°C

Safety Information

wgk germany：

RTECS Number：

NQ4695000

Precautionary statement(s)：

P273, P391, P501

Hazard Statements：

H411

Hexyl isobutyrate Use and Manufacturing

Methods of Manufacturing

Directly esterified by n-hexanol and isobutyric acid.

Uses

GB 2760-1996 temporarily allowed the use of food flavors.

Manufacturing Info：

Propanoic acid, 2-methyl-, hexyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents

Food Additive Classes：

Flavoring Agents|Flavouring Agent -> FLAVOURING_AGENT;

Computed Properties

Molecular Weight:172.26
XLogP3:3.5
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:172.146329876
Monoisotopic Mass:172.146329876
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:119
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutyric acid

Recommended Suppliers of Hexyl isobutyrate

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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Hexyl isobutyrate

CAS No.: 2349-07-7

Content: 99.00%

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Guide of Hexyl isobutyrate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
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Hexyl isobutyrate

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