1.0
2010-04-08 22:14:40 UTC
2015-07-21 06:40:12 UTC
FDB019918
Allyl 3-cyclohexylpropionate
Pineapple flavourant
2-Propenyl 3-cyclohexylpropanoate
2-Propenyl 3-cyclohexylpropanoic acid
2-Propenyl cyclohexanepropanoate
3-Allylcyclohexyl propionate
Allyl 3-cyclohexylpropanoate
Allyl 3-cyclohexylpropionate
Allyl beta-cyclohexylpropionate
Allyl cyclohexanepropionate
Allyl cyclohexylpropanoate
Allyl cyclohexylpropionate
Allyl hexahydrophenylpropionate
Ananolide
FEMA 2026
C12H20O2
196.286
196.146329884
prop-2-en-1-yl 3-cyclohexylpropanoate
allyl cyclohexylpropionate
2705-87-5
C=CCOC(=O)CCC1CCCCC1
InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
TWXUTZNBHUWMKJ-UHFFFAOYSA-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 homomonocyclic compounds
Carbonyl compounds
Carboxylic acid esters
Hydrocarbon derivatives
Monocarboxylic acids and derivatives
Organic oxides
Aliphatic homomonocyclic 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
fatty acid ester
logp
4.14
logs
-4.38
solubility
8.15e-03 g/l
logp
3.4
pka_strongest_basic
-7
iupac
prop-2-en-1-yl 3-cyclohexylpropanoate
average_mass
196.286
mono_mass
196.146329884
smiles
C=CCOC(=O)CCC1CCCCC1
formula
C12H20O2
inchi
InChI=1S/C12H20O2/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11/h2,11H,1,3-10H2
inchikey
TWXUTZNBHUWMKJ-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
56.95
polarizability
23.48
rotatable_bond_count
6
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
22513
Specdb::CMs
28350
Specdb::CMs
102064
Specdb::CMs
132997
Specdb::CMs
140731
Specdb::MsIr
8774
Specdb::MsIr
8775
Specdb::MsMs
72486
Specdb::MsMs
72487
Specdb::MsMs
72488
Specdb::MsMs
131430
Specdb::MsMs
131431
Specdb::MsMs
131432
Specdb::MsMs
2765207
Specdb::MsMs
2765208
Specdb::MsMs
2765209
Specdb::MsMs
2944066
Specdb::MsMs
2944067
Specdb::MsMs
2944068
HMDB40206
#<Reference:0x0000555675ab0d58>
candy
fruity
pineapple
sweet
tropical
waxy