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Isobutyl crotonate

Isobutyl crotonate structure

CAS No:
589-66-2
Formula:
C8H14O2
Chemical Name:
Isobutyl crotonate
Synonyms:
2-Butenoic acid,2-methylpropyl ester;Crotonic acid,isobutyl ester;Isobutyl crotonate;2-Methylpropyl crotonate;Isobutyl 2-butenoate;2-Butenoic acid 2-methylpropyl ester
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

Isobutyl 2-Butenoate has a fruity, powerful odor. Colorless liquid; powerful fruity odor. Soluble in alcohol, propylene glycol, fixed oils; slightly soluble in water.

Colourless liquid; powerful fruity aroma

Isobutyl crotonate Basic Attributes

Molecular Weight：

142.2

Exact Mass：

142.20

EC Number：

209-658-5

DSSTox ID：

DTXSID7047691

HScode：

2916190090

Characteristics

PSA：

26.30000

XLogP3：

2.73

Appearance：

Colourless liquid; powerful fruity aroma

Density：

0.9±0.1 g/cm3

Boiling Point：

171 °C(lit.)

Flash Point：

131 °F

Refractive Index：

1.431

Water Solubility：

Slightly soluble in water; soluble in propylene glycol, most fixed oils

Safety Information

Hazard category：

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

10-36/37/38

safety instructions：

16-26-36/37/39

Marks：

GHS Classification：

|Warning|H226 (98.26%): 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 1438 companies from 5 notifications to the ECHA C&L Inventory.

Isobutyl crotonate Use and Manufacturing

Methods of Manufacturing

It is formed by heating and esterifying 2-butenoic acid and isobutanol in the presence of sulfuric acid.

Uses

spices. Mainly used to prepare raspberry, blueberry and grape flavors.

Manufacturing Info：

2-Butenoic 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:142.20
XLogP3:2.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:142.099379685
Monoisotopic Mass:142.099379685
Topological Polar Surface Area:26.3
Heavy Atom Count:10
Complexity:125
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Isobutanol

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110-19-0
ETHYL ISOBUTYL SULFIDE Formula

1613-45-2
Isobutyl tiglate Formula

61692-84-0
Isobutyl phenylacetate Structure

102-13-6
Isobutyl palmitate Structure

110-34-9
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Hot Searches: pentanone; 2-chlorobenzoic acid; sodium hydrochloride; ccl4 compound name; jxl-069; toluene sds

Guide of Isobutyl crotonate

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

Isobutyl crotonate

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