1.0
2010-04-08 22:08:04 UTC
2015-07-20 22:22:08 UTC
FDB008404
2-Hexyl-3-phenyl-2-propenal
Flavouring agent
-Hexyl-3-phenyl-propenal
(2Z)-2-Hexyl-3-phenyl-2-propenal
α-hexylcinnamaldehyde
α-hexylcinnamic aldehyde
α-n-hexyl-α-hexylcinnamaldehyde
α-n-hexyl-β-phenylacrolein
2-(Phenylmethylene)-octanal
2-(Phenylmethylene)octanal
2-(Phenylmethylene)octanal, 9CI
2-[(e)-Benzylidene]octanal
2-Benzylideneoctanal
2-Hexenyl cynnamaldehyde
2-Hexyl-3-phenyl-propenal
2-Hexylcinnamaldehyde
3-Phenyl-2-propenal dimethyl acetal
a-Hexyl-b-phenylacrolein
a-Hexylcinnamaldehyde
a-Hexylcinnamaldehyde, 8CI
a-Hexylcinnamic aldehyde
a-Hexylcinnamyl aldehyde
a-N-Hexyl-b-phenylacrolein
alpha -Hexylcinnamaldehyde
alpha -Hexylcinnamic aldehyde
alpha -N-Hexyl-alpha -hexylcinnamaldehyde
alpha -N-Hexyl-beta -phenylacrolein
alpha-Hexyl-beta-phenylacrolein
alpha-Hexylcinnamaldehyde
alpha-Hexylcinnamic aldehyde
alpha-Hexylcinnamyl aldehyde
alpha-N-Hexyl-beta-phenylacrolein
Cinnamaldehyde, α-hexyl-
Cinnamaldehyde, dimethyl acetal
Cinnamic aldehyde dimethyl acetal
FEMA 2569
Hexyl cinnamic aldehyde
Hexyl cinnamic aldehyde (van)
Hexylcinnamaldehyde
N-hexyl cinnamaldehyde
Octanal, 2-(phenylmethylene)-
α-hexyl-β-phenylacrolein
α-hexylcinnamaldehyde
α-hexylcinnamic aldehyde
α-hexylcinnamyl aldehyde
α-N-hexyl-β-phenylacrolein
C15H20O
216.3187
216.151415262
(2E)-2-(phenylmethylidene)octanal
hexyl cinnamic aldehyde
101-86-0
CCCCCC\C(C=O)=C/C1=CC=CC=C1
InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
GUUHFMWKWLOQMM-NTCAYCPXSA-N
belongs to the class of organic compounds known as cinnamaldehydes. These are organic aromatic compounds containing a cinnamlaldehyde moiety, consisting of a benzene and an aldehyde group to form 3-phenylprop-2-enal.
Cinnamaldehydes
Organic compounds
Phenylpropanoids and polyketides
Cinnamaldehydes
Aromatic homomonocyclic compounds
Aldehydes
Benzene and substituted derivatives
Enals
Hydrocarbon derivatives
Organic oxides
Aldehyde
Alpha,beta-unsaturated aldehyde
Aromatic homomonocyclic compound
Benzenoid
Carbonyl group
Cinnamaldehyde
Enal
Hydrocarbon derivative
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
cinnamaldehydes
Liquid
logp
4.44
ALOGPS
logs
-5.02
ALOGPS
solubility
2.05e-03 g/l
ALOGPS
melting_point
Mp 4°
logp
4.6
ChemAxon
pka_strongest_basic
-4.5
ChemAxon
iupac
(2E)-2-(phenylmethylidene)octanal
ChemAxon
average_mass
216.3187
ChemAxon
mono_mass
216.151415262
ChemAxon
smiles
CCCCCC\C(C=O)=C/C1=CC=CC=C1
ChemAxon
formula
C15H20O
ChemAxon
inchi
InChI=1S/C15H20O/c1-2-3-4-6-11-15(13-16)12-14-9-7-5-8-10-14/h5,7-10,12-13H,2-4,6,11H2,1H3/b15-12+
ChemAxon
inchikey
GUUHFMWKWLOQMM-NTCAYCPXSA-N
ChemAxon
polar_surface_area
17.07
ChemAxon
refractivity
69.5
ChemAxon
polarizability
26.35
ChemAxon
rotatable_bond_count
7
ChemAxon
acceptor_count
1
ChemAxon
donor_count
0
ChemAxon
physiological_charge
0
ChemAxon
formal_charge
0
ChemAxon
Specdb::CMs
23226
Specdb::CMs
29252
Specdb::CMs
100942
Specdb::CMs
156588
Specdb::MsMs
91266
Specdb::MsMs
91267
Specdb::MsMs
91268
Specdb::MsMs
154617
Specdb::MsMs
154618
Specdb::MsMs
154619
Specdb::MsMs
2824207
Specdb::MsMs
2824208
Specdb::MsMs
2824209
Specdb::MsMs
2854924
Specdb::MsMs
2854925
Specdb::MsMs
2854926
HMDB31736
#<Reference:0x000055ce31dba4c0>
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