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1-Octen-3-yl butyrate

1-Octen-3-yl butyrate structure

CAS No:
16491-54-6
Formula:
C12H22O2
Chemical Name:
1-Octen-3-yl butyrate
Synonyms:
Butanoic acid,1-ethenylhexyl ester;Butyric acid,1-pentylallyl ester;1-Octen-3-ol,butyrate;1-Pentylallyl butyrate;1-Octen-3-yl butyrate
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

1-Octen-3-yl butyrate has a fruity, buttery, strawberry, mushroom odor.l-Octen-3-yl butyrate has a fruity, buttery, strawberry, mushroom odor.

Colourless liquid; Sweet, fruity, buttery, mushroom aroma

1-Ethenylhexyl butanoate is a fatty acid ester.

1-Octen-3-yl butyrate Basic Attributes

Molecular Weight：

198.3

Exact Mass：

198.30

EC Number：

240-555-8

Characteristics

PSA：

26.30000

XLogP3：

3.46460

Density：

0.87 g/mL at 25 °C(lit.)

Melting Point：

225-229 °C(lit.)

Boiling Point：

111 °C @ Press: 20 Torr

Flash Point：

210 °F

Refractive Index：

n 20/D 1.4295(lit.)

Water Solubility：

5.441 mg/L @ 25 °C (est)|Insoluble in water; soluble in oils; slightly soluble in propylene glycol|Soluble (in ethanol)

Vapor Pressure：

0.0244mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

RTECS Number：

ET7030000

1-Octen-3-yl butyrate Use and Manufacturing

Methods of Manufacturing

It is formed by Grignard reaction of pentyl magnesium bromide and allyl alcohol, and then esterification with n-butyrate. It can also be formed by reducing the corresponding ketene and esterifying with n-butyric acid.

Uses

GB 2760-1996 stipulates the allowable food flavors. Mainly used to prepare mushroom and other flavors.

Manufacturing Info：

Butanoic acid, 1-ethenylhexyl ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents|Flavouring Agent ->

Computed Properties

Molecular Weight:198.30
XLogP3:4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:198.161979940
Monoisotopic Mass:198.161979940
Topological Polar Surface Area:26.3
Heavy Atom Count:14
Complexity:164
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-Octen-3-yl butyrate

Guangzhou Yaoguang Technology Co., Ltd. Contact Supplier

CN
5 YRS

Business licensed Certified factory

Manufactory Supplier of Custom Synthetic Chemicals,Biological Stains,Pharmaceutical Intermediates,Cosmetic Grade Chemicals,Enzyme,Nucleosides,Indicators,Speciality Chemicals,Biological Chemicals,Enzyme Substrates

1-OCTEN-3-YL BUTYRATE, CAS:16491-54-6

Unit Price: $7-8 /KG FOB

CAS No.: 16491-54-6

Grade: Reagent Grade

Content: 99%

Inquiry

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Guide of 1-Octen-3-yl butyrate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-Octen-3-yl butyrate

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