1.0
2010-04-08 22:13:41 UTC
2018-05-29 01:36:24 UTC
FDB018390
2-Hexenyl hexanoate
It is used as a food additive
(2E)-2-Hexenyl hexanoate
(E)-2-Hexenyl hexanoate
(E)-2-Hexenyl-n-hexanoate
(E)-Hex-2-enyl hexanoate
2-Hexenyl ester(e)-hexanoic acid
Hexanoic acid, (2E)-2-hexen-1-yl ester
Hexanoic acid, (2E)-2-hexenyl ester
Hexanoic acid, 2-hexenyl ester, (E)-
trans-2-Hexenyl caproate
trans-2-Hexenyl hexanoate
trans-2-Hexenyl n-hexanoate
C12H22O2
198.3019
198.161979948
53398-86-0
CCCCCC(=O)OC\C=C\CCC
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
UQPLEMTXCSYMEK-VQHVLOKHSA-N
belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid.
Fatty acid esters
Organic compounds
Lipids and lipid-like molecules
Fatty Acyls
Fatty acid esters
Aliphatic acyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic acyclic compound
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Hydrocarbon derivative
Monocarboxylic acid or derivatives
Organic oxide
Organic oxygen compound
Organooxygen compound
Wax monoesters
Liquid
average_mass
198.3019
mono_mass
198.161979948
smiles
CCCCCC(=O)OC\C=C\CCC
formula
C12H22O2
inchi
InChI=1S/C12H22O2/c1-3-5-7-9-11-14-12(13)10-8-6-4-2/h7,9H,3-6,8,10-11H2,1-2H3/b9-7+
inchikey
UQPLEMTXCSYMEK-VQHVLOKHSA-N
Specdb::CMs
18897
Specdb::CMs
131656
Specdb::CMs
139390
Specdb::MsIr
8059
Specdb::MsIr
8060
Specdb::MsMs
92712
Specdb::MsMs
92713
Specdb::MsMs
92714
Specdb::MsMs
156384
Specdb::MsMs
156385
Specdb::MsMs
156386
Specdb::MsMs
2819910
Specdb::MsMs
2819911
Specdb::MsMs
2819912
Specdb::MsMs
2889472
Specdb::MsMs
2889473
Specdb::MsMs
2889474
HMDB38924
#<Reference:0x0000555676308a00>
clean
cognac
green
herbal
natural
waxy