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Benzyl isobutyrate

Benzyl isobutyrate structure

CAS No:
103-28-6
Formula:
C11H14O2
Chemical Name:
Benzyl isobutyrate
Synonyms:
Propanoic acid,2-methyl-,phenylmethyl ester;Isobutyric acid,benzyl ester;Benzyl isobutyrate;Benzyl 2-methylpropionate;Benzyl isobutanoate;Phenylmethyl 2-methylpropanoate;NSC 406201;NSC 46112;Benzyl 2-methylpropanoate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Liquid

Liquid|colourless liquid with a fresh, fruity-floral odour

Phenylmethyl 2-methylpropanoate is a carboxylic ester. It derives from a benzyl alcohol.

Benzyl isobutyrate Basic Attributes

Molecular Weight：

178.23

Exact Mass：

178.23

BRN：

1869299

EC Number：

203-095-9

UNII：

P98PE45V9M

NSC Number：

406201|46112

DSSTox ID：

DTXSID6047602

HScode：

2915900090

Characteristics

PSA：

26.3

XLogP3：

2.81

Appearance：

Liquid

Density：

1.0±0.1 g/cm3

Boiling Point：

229 °C

Flash Point：

138 °F

Refractive Index：

1.497

Water Solubility：

insoluble in water and glycerin, soluble in organic solvents, oils

Vapor Pressure：

0.0513mmHg at 25°C

Safety Information

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

safety instructions：

16-24/25

RTECS Number：

NQ4550000

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

Not Classified

Benzyl isobutyrate Use and Manufacturing

Methods of Manufacturing

It is made by esterification of benzyl alcohol and isobutyrate. It is derived from benzyl alcohol and butyraldehyde under the catalysis of lead ethanol.

Uses

GB 2760--1996: Food flavors allowed to be used. It is mainly used for blending flavors such as snakeberry and strawberry.

Manufacturing Info：

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

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:178.23
XLogP3:3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:178.099379685
Monoisotopic Mass:178.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:13
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Benzyl alcohol

Butanal

Isobutyric acid

Downstream Products

Isobutyric acid

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CAS No.: 103-28-6

Grade: Food Grade

Content: 99%

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Guide of Benzyl isobutyrate

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

Benzyl isobutyrate

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