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CHEBI:141209 - (E)-hex-2-enyl acetate

ChEBI IDCHEBI:141209
ChEBI Name(E)-hex-2-enyl acetate
Stars
ASCII Name(E)-hex-2-enyl acetate
DefinitionAn acetate ester resulting from the formal condensation of the hydroxy group of (E)-hex-2-en-1-ol with the carboxy group of acetic acid.
Last Modified10 July 2018
SubmitterGareth Owen
DownloadsMolfile
FormulaC8H14O2
Net Charge0
Average Mass142.198
Monoisotopic Mass142.09938
SMILESCCC/C=C/COC(C)=O
InChIInChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKeyHRHOWZHRCRZVCU-AATRIKPKSA-N
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
Application:
flavouring agent  A food additive that is used to added improve the taste or odour of a food.
ChEBI Ontology
Outgoing Relation(s)
(E)-hex-2-enyl acetate (CHEBI:141209) has functional parent (E)-hex-2-en-1-ol (CHEBI:141205)
(E)-hex-2-enyl acetate (CHEBI:141209) has role flavouring agent (CHEBI:35617)
(E)-hex-2-enyl acetate (CHEBI:141209) has role plant metabolite (CHEBI:76924)
(E)-hex-2-enyl acetate (CHEBI:141209) is a acetate ester (CHEBI:47622)
(E)-hex-2-enyl acetate (CHEBI:141209) is a olefinic compound (CHEBI:78840)
IUPAC Name 
(2E)-hex-2-en-1-yl acetate
Synonyms  Source
trans-2-hexen-1-yl acetateChemIDplus
trans-2-hexenyl acetateChemIDplus
(E)-2-hexenyl acetateChemIDplus
(E)-2-hexen-1-ol acetateNIST Chemistry WebBook
trans-hex-2-en-1-yl acetateNIST Chemistry WebBook
trans-hex-2-enyl acetateNIST Chemistry WebBook
Manual XrefsDatabases
HMDB0040212HMDB
LMFA07010178LIPID MAPS
FDB019924FooDB
C00035766KNApSAcK
Registry NumbersSources
Reaxys:1721851Reaxys
CAS:2497-18-9ChemIDplus
CAS:2497-18-9NIST Chemistry WebBook
Citations