ChemicalBook--->CAS DataBase List--->2396-83-0

2396-83-0

2396-83-0 Structure

2396-83-0 Structure
IdentificationMore
[Name]

Ethyl 3-hexenoate
[CAS]

2396-83-0
[Synonyms]

ETHYL 3-HEXENOATE
ETHYL CIS-3-HEXENOATE
ETHYL T3 HEXENOATE
ETHYL TRANS-3-HEXENOATE
FEMA 3342
3-Hexenoicacid,ethylester
Ethyl (3E)-3-hexenoate
ethyl hex-3-enoate
ETHYL 3 HEXANOATE
ETHYL TRANS-3-HEXENOATE 98+%
Ethyl3-hexenoate,98%
ethyl trans-3-hexanoate
Ethyl hydrosorbate
Hydrosorbic acid, ethyl ester
[EINECS(EC#)]

219-257-7
[Molecular Formula]

C8H14O2
[MDL Number]

MFCD00036524
[Molecular Weight]

142.2
[MOL File]

2396-83-0.mol
Chemical PropertiesBack Directory
[Melting point ]

-65.52°C (estimate)
[Boiling point ]

63-64 °C12 mm Hg(lit.)
[density ]

0.896 g/mL at 25 °C(lit.)
[FEMA ]

3342
[refractive index ]

n20/D 1.426(lit.)
[Fp ]

139 °F
[storage temp. ]

Sealed in dry,Room Temperature
[Appearance]

Colorless to light yellow Liquid
[Odor]

at 100.00 %. fruity pineapple green tart candy metallic tropical rhubarb weedy cheesy
[biological source]

synthetic
[Odor Type]

fruity
[JECFA Number]

335
[Major Application]

flavors and fragrances
[InChI]

1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h5-6H,3-4,7H2,1-2H3/b6-5+
[InChIKey]

VTSFIPHRNAESED-AATRIKPKSA-N
[SMILES]

[H]\C(CC)=C(\[H])CC(=O)OCC
[LogP]

2.59
[CAS DataBase Reference]

2396-83-0(CAS DataBase Reference)
[NIST Chemistry Reference]

3-Hexenoic acid, ethyl ester(2396-83-0)
[EPA Substance Registry System]

2396-83-0(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)
GHS02
[Signal word ]

Warning
[Hazard statements ]

H226
[Precautionary statements ]

P210-P233-P303+P361+P353-P370+P378-P403+P235-P501
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

UN 3272 3/PG 3
[WGK Germany ]

3
[Hazard Note ]

Irritant
[TSCA ]

Yes
[HazardClass ]

3
[PackingGroup ]

III
[HS Code ]

29161900
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Flam. Liq. 3
Raw materials And Preparation ProductsBack Directory
[Raw materials]

BEER-->cis-3-Hexenoic acid
[Preparation Products]

Acetal-->Ethyl Hexanoate
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Ethyl 3-hexenoate(2396-83-0).msds
Hazard InformationBack Directory
[Chemical Properties]

Ethyl 3-hexenoate has a green, fruity aroma.
[Occurrence]

Reported found in pineapple, melon, beer, passion fruit juice, quince, plumcot, prickly pear and kiwifruit.
[Uses]

flavors and fragrances
[Definition]

ChEBI: A fatty acid ethyl ester of 3-hexenoic acid.
[Preparation]

From3-hexenoic acid and dicyclohexylcarbodimide; by fungalfermentation (20°C) of 3-hexenoic acid using Saccharomyces cerevisiae; from trialkylboranes and ethyl-4-bromocrotonate in the presence of 2,6-di-tert-butyl-phenoxide; by pyrolysis of acetates.
[Taste threshold values]

Taste characteristics at 10 ppm: fruity, green, sweet and pineapple-like.
[General Description]

Ethyl trans-3-hexenoate is an ester. It was evaluated as aroma volatile in the GC effluents of cashew apple water phase phase.
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl 3-hexenoate(2396-83-0)1HNMR
Ethyl 3-hexenoate(2396-83-0)IR
Ethyl 3-hexenoate(2396-83-0)Raman
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

Ethyl 3-hexenoate, 98%(2396-83-0)
[Sigma Aldrich]

2396-83-0(sigmaaldrich)
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