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(±)-Butyl 2-methylbutanoate

(±)-Butyl 2-methylbutanoate structure

CAS No:
15706-73-7
Formula:
C9H18O2
Chemical Name:
(±)-Butyl 2-methylbutanoate
Synonyms:
Butanoic acid,2-methyl-,butyl ester;Butyric acid,2-methyl-,butyl ester;Butyl 2-methylbutanoate;Butyl 2-methylbutyrate;n-Butyl 2-methylbutyrate;(±)-Butyl 2-methylbutanoate;144831-53-8
Categories:
Cosmetic Ingredient > Perfuming

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Description

CLEAR COLOURLESS LIQUID n-Butyl-2-methylbutyrate has a fruity odor with cocoa undertones.

colourless to pale yellow lquid

Butyl 2-methylbutanoate is a fatty acid ester.

(±)-Butyl 2-methylbutanoate Basic Attributes

Molecular Weight：

158.24

Exact Mass：

158.24

EC Number：

256-973-9

DSSTox ID：

DTXSID4047046

Characteristics

PSA：

26.3

XLogP3：

2.37580

Appearance：

colorless clear liquid

Density：

0.863 g/mL at 25 °C(lit.)

Melting Point：

174-176 °C

Boiling Point：

179 °C

Flash Point：

140 °F

Refractive Index：

n 20/D 1.409(lit.)

Water Solubility：

117.8 mg/L @ 25 °C (est)

Vapor Pressure：

1.09mmHg at 25°C

Safety Information

Packing level：

III

Hazard category：

3.2

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

51/53

safety instructions：

Marks：

Precautionary statement(s)：

P273

Hazard Statements：

H226-H411

GHS Classification：

|Warning|H226 (97.99%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1447 companies from 6 notifications to the ECHA C&L Inventory.

(±)-Butyl 2-methylbutanoate Use and Manufacturing

Methods of Manufacturing

It is formed by direct esterification of 2-methylbutyric acid and n-butanol.

Uses

GB 2760E1996 stipulates the permitted food spices.

Manufacturing Info：

Butanoic acid, 2-methyl-, butyl 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:158.24
XLogP3:2.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:26.3
Heavy Atom Count:11
Complexity:110
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

1-Butanol

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Guide of (±)-Butyl 2-methylbutanoate

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

(±)-Butyl 2-methylbutanoate

SDS

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