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Isoamyl benzoate

Isoamyl benzoate structure

CAS No:
94-46-2
Formula:
C12H16O2
Chemical Name:
Isoamyl benzoate
Synonyms:
1-Butanol,3-methyl-,1-benzoate;Isopentyl alcohol,benzoate;1-Butanol,3-methyl-,benzoate;iso-Amyl benzoate;Isopentyl benzoate;Isoamyl benzoate;3-Methylbutyl benzoate;iso-Pentyl benzoate;NSC 9284
Categories:
Cosmetic Ingredient > Perfuming

Description

Isoamyl benzoate has a mild, sweet, fruit-like odor Colorless liquid; fruity odor. Insoluble in water; soluble in alcohol. Combustible.

colourless oily liquid with a mild, sweet, fruity-like odour

3-Methylbutyl benzoate is a benzoate ester.

Isoamyl benzoate Basic Attributes

Molecular Weight：

192.25

Exact Mass：

192.25

EC Number：

202-334-4

UNII：

0AY72CK43K

NSC Number：

9284

DSSTox ID：

DTXSID8047185

HScode：

2916310090

Characteristics

PSA：

26.3

XLogP3：

3.8

Appearance：

colourless oily liquid with a mild, sweet, fruity-like odour

Density：

0.99 g/mL at 25 °C(lit.)

Boiling Point：

261 °C

Flash Point：

>230 °F

Refractive Index：

n20/D 1.494(lit.)

Water Solubility：

insoluble in water; soluble in organic solvents, oils

Storage Conditions：

Store below +30°C.

Vapor Pressure：

0.14 mmHg

Safety Information

Packing level：

Ⅲ

Transport codes：

3082

wgk germany：

hazard class code：

safety instructions：

S24/25

RTECS Number：

DH3078000

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P273, P280, P303+P361+P353, P370+P378, P391, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|H411 (84.62%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|Aggregated GHS information provided by 97 companies from 4 notifications to the ECHA C&L Inventory.

Isoamyl benzoate Use and Manufacturing

Methods of Manufacturing

It is formed by direct esterification of benzoic acid and isoamyl alcohol in the presence of sulfuric acid.

Uses

In perfumery and cosmetics.

Manufacturing Info：

1-Butanol, 3-methyl-, 1-benzoate: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:192.25
XLogP3:3.8
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

Isoamyl alcohol

Benzoic acid

Recommended Suppliers of Isoamyl benzoate

HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

CN
5 YRS

Business licensed

Trader Supplier of Intermediates,Building blocks,API,Silicones,Peptides,Lab chemicals,Biochemicals,Pharmaceuticals,Screening Compounds,Food Additives

Isoamyl benzoate

CAS No.: 94-46-2

Content: 99.00%

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JHECHEM CO LTD Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of BBiochemicals,Peptides,Silicones,Pharmaceuticals,Building blocks,Intermediates

Isoamyl Benzoate

CAS No.: 94-46-2

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NANTONG REFORM PETRO-CHEMICAL CO.,LTD Contact Supplier

CN
4 YRS

Business licensed Certified factory

Manufactory Supplier of Flavors & Fragrances,Catalyst & Auxiliary,Intermediates,Dyes & Pigments,Inorganic Chemistry,petro chemicals,Surfactant,Food Additives,Water Treatment Chemicals

isopentyl benzoate

CAS No.: 94-46-2

Grade: Industrial Grade

Content: 99%

Inquiry

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Guide of Isoamyl benzoate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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Isoamyl benzoate

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