1.0
2010-04-08 22:11:36 UTC
2015-07-20 23:13:46 UTC
FDB015024
alpha-Pentylcinnamyl alcohol
Flavouring ingredient
(2e)-2-Pentyl-3-phenyl-2-propen-1-ol
2-(Phenylmethylene)-1-heptanol
2-(Phenylmethylene)-1-heptanol, 9CI
2-Amyl-3-phenyl-2-propen-1-ol
2-Benzylidene-1-heptanol
2-Benzylideneheptanol
2-Pentyl-3-phenyl-2-propen-1-ol
2-Pentyl-3-phenylprop-2-en-1-ol
2-Pentylcinnamic alcohol
a-Amylcinnamyl alcohol
a-Pentylcinnamyl alcohol
alpha-Amylcinnamic alcohol
alpha-Amylcinnamyl alcohol
alpha-Pentylcinnamyl alcohol
Amyl cinnamic alcohol
Buxinol
FEMA 2065
C14H20O
204.308
204.151415262
(2Z)-2-(phenylmethylidene)heptan-1-ol
(2Z)-2-(phenylmethylidene)heptan-1-ol
101-85-9
CCCCC\C(CO)=C\C1=CC=CC=C1
InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-
LIPHCKNQPJXUQF-KAMYIIQDSA-N
belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety.
Cinnamyl alcohols
Organic compounds
Phenylpropanoids and polyketides
Cinnamyl alcohols
Aromatic homomonocyclic compounds
Benzene and substituted derivatives
Fatty alcohols
Hydrocarbon derivatives
Primary alcohols
Alcohol
Aromatic homomonocyclic compound
Benzenoid
Cinnamyl alcohol
Fatty acyl
Fatty alcohol
Hydrocarbon derivative
Monocyclic benzene moiety
Organic oxygen compound
Organooxygen compound
Primary alcohol
logp
4.18
logs
-3.84
solubility
2.97e-02 g/l
logp
3.84
pka_strongest_acidic
15.14
pka_strongest_basic
-2.7
iupac
(2Z)-2-(phenylmethylidene)heptan-1-ol
average_mass
204.308
mono_mass
204.151415262
smiles
CCCCC\C(CO)=C\C1=CC=CC=C1
formula
C14H20O
inchi
InChI=1S/C14H20O/c1-2-3-5-10-14(12-15)11-13-8-6-4-7-9-13/h4,6-9,11,15H,2-3,5,10,12H2,1H3/b14-11-
inchikey
LIPHCKNQPJXUQF-KAMYIIQDSA-N
polar_surface_area
20.23
refractivity
65.88
polarizability
25.41
rotatable_bond_count
6
acceptor_count
1
donor_count
1
physiological_charge
0
formal_charge
0
Specdb::MsIr
7136
Specdb::MsIr
7137
Specdb::MsIr
7138
Specdb::CMs
15702
Specdb::CMs
44764
Specdb::CMs
160162
Specdb::MsMs
47358
Specdb::MsMs
47359
Specdb::MsMs
47360
Specdb::MsMs
128400
Specdb::MsMs
128401
Specdb::MsMs
128402
Specdb::MsMs
3053627
Specdb::MsMs
3053628
Specdb::MsMs
3053629
Specdb::MsMs
3116616
Specdb::MsMs
3116617
Specdb::MsMs
3116618
HMDB36170
#<Reference:0x0000555675843430>
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