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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:141209 - (
E
)-hex-2-enyl acetate
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ChEBI Name
(
E
)-hex-2-enyl acetate
ChEBI ID
CHEBI:141209
ChEBI ASCII Name
(E)-hex-2-enyl acetate
Definition
An 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.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C8H14O2
Net Charge
0
Average Mass
142.196
Monoisotopic Mass
142.09938
InChI
InChI=1S/C8H14O2/c1-3-4-5-6-7-10-8(2)9/h5-6H,3-4,7H2,1-2H3/b6-5+
InChIKey
HRHOWZHRCRZVCU-AATRIKPKSA-N
SMILES
C(C/C=C/COC(C)=O)C
Roles Classification
Biological Role
(s):
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
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
(
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
(2
E
)-hex-2-en-1-yl acetate
Synonyms
Sources
(
E
)-2-hexen-1-ol acetate
NIST Chemistry WebBook
(
E
)-2-hexenyl acetate
ChemIDplus
(
E
)-hex-2-enyl acetate
NIST Chemistry WebBook
trans
-2-hexen-1-yl acetate
ChemIDplus
trans
-2-hexenyl acetate
ChemIDplus
trans
-hex-2-en-1-yl acetate
NIST Chemistry WebBook
trans
-hex-2-enyl acetate
NIST Chemistry WebBook
Manual Xrefs
Databases
C00035766
KNApSAcK
FDB019924
FooDB
HMDB0040212
HMDB
LMFA07010178
LIPID MAPS
View more database links
Registry Numbers
Types
Sources
1721851
Reaxys Registry Number
Reaxys
2497-18-9
CAS Registry Number
ChemIDplus
2497-18-9
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
18408973
PubMed citation
Europe PMC
20401755
PubMed citation
Europe PMC
21535618
PubMed citation
Europe PMC
23054031
PubMed citation
Europe PMC
23678819
PubMed citation
Europe PMC
23682312
PubMed citation
Europe PMC
25172758
PubMed citation
Europe PMC
28251439
PubMed citation
Europe PMC
28682070
PubMed citation
Europe PMC
IND44653025
Agricola citation
Europe PMC
Last Modified
10 July 2018