1.0
2010-04-08 22:08:02 UTC
2019-11-26 03:02:31 UTC
FDB008354
cis-3-Hexenyl pentanoate
Flavouring ingredient. Constituent of Spanish oregano (Coridothymus capitatus), tabasco pepper (Capsicum frutescens). cis-3-Hexenyl pentanoate is found in herbs and spices.
(3Z)-3-Hexenyl pentanoate
(E)-3-Hexen-1-ol, pentanoate
(E)-Hex-3-enyl valerate
(Z)-3-Hexen-1-ol, pentanoate
(Z)-3-hexenyl pentanoate
(Z)-3-Hexenyl valerate
(Z)-Hex-3-enyl valerate
2,2-Dimethylpropyl ethylonofluoridate
2,2-Dimethylpropyl ethylphosphonofluoridate
3-Hexenyl ester(Z)-pentanoic acid
3-Hexenyl ester(Z)-valeric acid
cis-3-Hexenyl N-valerate
cis-3-Hexenyl pentanoate
cis-3-Hexenyl valerate
FEMA 3936
Neopentyl ethylonofluoridoate
Neopentyl ethylphosphonofluoridoate
Pentanoic acid, (3Z)-3-hexen-1-yl ester
Pentanoic acid, (3Z)-3-hexenyl ester
Pentanoic acid, 3-hexenyl ester, (Z)-
Valeric acid, 3-hexenyl ester, (Z)-
Z-3-Hexenyl valerate
C11H20O2
184.2753
184.146329884
(3Z)-hex-3-en-1-yl pentanoate
(3Z)-hex-3-en-1-yl pentanoate
35852-46-1
CCCCC(=O)OCC\C=C/CC
InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
XPFTVTFOOTVHIA-ALCCZGGFSA-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
logp
3.79
logs
-3.35
solubility
8.33e-02 g/l
logp
3.36
pka_strongest_basic
-7
iupac
(3Z)-hex-3-en-1-yl pentanoate
average_mass
184.2753
mono_mass
184.146329884
smiles
CCCCC(=O)OCC\C=C/CC
formula
C11H20O2
inchi
InChI=1S/C11H20O2/c1-3-5-7-8-10-13-11(12)9-6-4-2/h5,7H,3-4,6,8-10H2,1-2H3/b7-5-
inchikey
XPFTVTFOOTVHIA-ALCCZGGFSA-N
polar_surface_area
26.3
refractivity
55.43
polarizability
22.66
rotatable_bond_count
8
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
4842
Specdb::MsIr
4843
Specdb::CMs
16643
Specdb::CMs
28691
Specdb::CMs
100934
Specdb::CMs
136100
Specdb::CMs
143834
Specdb::MsMs
91746
Specdb::MsMs
91747
Specdb::MsMs
91748
Specdb::MsMs
155217
Specdb::MsMs
155218
Specdb::MsMs
155219
Specdb::MsMs
3041707
Specdb::MsMs
3041708
Specdb::MsMs
3041709
Specdb::MsMs
3098116
Specdb::MsMs
3098117
Specdb::MsMs
3098118
HMDB31691
#<Reference:0x0000555675a76310>
Herbs and Spices
Unknown
generic
apple
fruity
green
kiwi
pear
tropical
unripe banana