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Methyl 4-pentenoate

Methyl 4-pentenoate structure

CAS No:
818-57-5
Formula:
C6H10O2
Chemical Name:
Methyl 4-pentenoate
Synonyms:
4-Pentenoic acid,methyl ester;Methyl 4-pentenoate;Methyl allylacetate;Allylacetic acid methyl ester
Categories:
Pharmaceutical Intermediates > Heterocyclic Compound

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Description

Colorless liquid; green fruity aroma.

Colourless liquid; Green fruity aroma

Methyl 4-pentenoate is a fatty acid methyl ester.

Methyl 4-pentenoate Basic Attributes

Molecular Weight：

114.14200

Exact Mass：

114.14

UNII：

G48IPZ8O71

DSSTox ID：

DTXSID60231373

Characteristics

PSA：

26.30000

XLogP3：

1.12560

Appearance：

Colourless liquid; Green fruity aroma

Density：

0.904g/cm3

Boiling Point：

125-126 °C

Flash Point：

29ºC

Refractive Index：

n20/D 1.415

Water Solubility：

Insoluble in water; soluble in propylene glycol

Safety Information

Transport codes：

UN 3272 3/PG 3

wgk germany：

hazard class code：

10-36

safety instructions：

Marks：

Precautionary statement(s)：

P305 + P351 + P338

Hazard Statements：

H226-H319

GHS Classification：

|Warning|H226 (97.44%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P264, P280, P303+P361+P353, P305+P351+P338, P337+P313, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Methyl 4-pentenoate Use and Manufacturing

Use Classification：

Flavoring Agents -> JECFA Flavorings Index|Fatty Acyls [FA] -> Fatty esters [FA07] -> Wax monoesters [FA0701]

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:114.14
XLogP3:1.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:114.068079557
Monoisotopic Mass:114.068079557
Topological Polar Surface Area:26.3
Heavy Atom Count:8
Complexity:86.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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METHYL 4-PENTENOATE

CAS No.: 818-57-5

Content: 99.00%

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