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818-57-5

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818-57-5 Structure

818-57-5 Structure
IdentificationBack Directory
[Name]

METHYL 4-PENTENOATE
[CAS]

818-57-5
[Synonyms]

SKL511
methyl pent-4-enoate
Allylacetic acid methyl ester
Methyl 4-pentenoate >=95.0% (GC)
4-Pentenoic acid methyl ester, Allylacetic acid methyl ester, Methyl allylacetate
[Molecular Formula]

C6H10O2
[MDL Number]

MFCD03990590
[MOL File]

818-57-5.mol
[Molecular Weight]

114.14
Chemical PropertiesBack Directory
[Boiling point ]

125-126 °C
[density ]

0.904±0.06 g/cm3(Predicted)
[FEMA ]

4353 | METHYL 4-PENTENOATE
[refractive index ]

n20/D 1.415
[Fp ]

29 °C
[storage temp. ]

Inert atmosphere,2-8°C
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 10.00 % in dipropylene glycol. green fruit
[Odor Type]

green
[JECFA Number]

1616
[InChI]

InChI=1S/C6H10O2/c1-3-4-5-6(7)8-2/h3H,1,4-5H2,2H3
[InChIKey]

SHCSFZHSNSGTOP-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)CCC=C
[LogP]

1.45
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Warning
[Hazard statements ]

H226-H319
[Precautionary statements ]

P210-P305+P351+P338
[Hazard Codes ]

Xi
[Risk Statements ]

10-36
[Safety Statements ]

26
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

3
[F ]

10-23
[HazardClass ]

3
[HS Code ]

2916199590
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Eye Irrit. 2
Flam. Liq. 3
Hazard InformationBack Directory
[Chemical Properties]

Colorless liquid; green fruity aroma.
[Uses]

4-Pentenoic Acid Methyl Ester is used in the preparation of 2,4-dienoates.
[Definition]

ChEBI: Methyl 4-pentenoate is a fatty acid methyl ester.
[Aroma threshold values]

Medium strength odor; recommend smelling in a 10.00% solution or less
[General Description]

Methyl 4-pentenoate is an unsaturated methyl ester that is prepared by the esterification of 1-pentenoic acid with methanol. It undergoes amidation with formamide via acetone-initiated photochemical reaction to form a 1:1 adduct. The metathesis of methyl 4-pentenoate with different Mo(VI)alkylidene complexes have been reported. It acts as a chain transfer agent during the polymerization of exo,exo-5,6-bis(methoxymethyl)-7-oxabicyclo[2.2.1]hept-2-ene using RuII(H20)6(tos)2 (tos =p-toluenesulfonate) as a catalyst.
Spectrum DetailBack Directory
[Spectrum Detail]

METHYL 4-PENTENOATE(818-57-5)MS
METHYL 4-PENTENOATE(818-57-5)1HNMR
METHYL 4-PENTENOATE(818-57-5)IR1
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