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Isobutyl phenylacetate

Isobutyl phenylacetate structure

CAS No:
102-13-6
Formula:
C12H16O2
Chemical Name:
Isobutyl phenylacetate
Synonyms:
Benzeneacetic acid,2-methylpropyl ester;Acetic acid,phenyl-,isobutyl ester;Isobutyl phenylacetate;Isobutyl α-toluate;NSC 6602;2-Methylpropyl 2-phenylacetate
Categories:
Cosmetic Ingredient > Perfuming

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Description

Colourless liquid; rose honey-like odour

2-Methylpropyl phenylacetate is a member of benzenes.

Isobutyl phenylacetate Basic Attributes

Molecular Weight：

192.25

Exact Mass：

192.25

EC Number：

203-007-9

UNII：

2QK898564G

NSC Number：

6602

DSSTox ID：

DTXSID6051512

HScode：

29163990

Characteristics

PSA：

26.30000

XLogP3：

3.38

Appearance：

Colourless liquid; rose honey-like odour

Density：

0.9307 g/cm³ @ Temp: 14 °C

Boiling Point：

247 °C

Flash Point：

>230 °F

Refractive Index：

1.495

Water Solubility：

Insoluble in water, glyceryl, propylene glycol; soluble in oils

Vapor Pressure：

0.0152mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

RTECS Number：

CY1681950

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

Not Classified

Isobutyl phenylacetate Use and Manufacturing

Methods of Manufacturing

It is formed by heating and esterifying phenylacetic acid and isobutanol in the presence of concentrated sulfuric acid or dry hydrogen chloride gas.

Uses

Ester synthetic fragrance.

Manufacturing Info：

Benzeneacetic acid, 2-methylpropyl ester: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:3.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:192.115029749
Monoisotopic Mass:192.115029749
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:169
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Methyl phenylacetate

Toluene

Isobutanol

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Kaival chemicals Private Limited Contact Supplier

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Iso Butyl Phenyl Acetate 99% Colourless liquid Kaival Chemicals

CAS No.: 102-13-6

Grade: Industrial Grade

Content: 99%

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Guide of Isobutyl phenylacetate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Isobutyl phenylacetate

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