1.0
2010-04-08 22:05:49 UTC
2015-07-20 21:55:37 UTC
FDB003480
Ethyl 3-cyclohexylpropionate
Flavouring ingredient
Cyclohexanepropanoic acid, ethyl ester
Cyclohexanepropanoic acid, ethyl ester (9CI)
Cyclohexanepropionic acid, ethyl ester
Cyclohexanepropionic acid, ethyl ester (8CI)
Ethyl 3-cyclohexylpropanoate
Ethyl 3-cyclohexylpropionate
Ethyl cyclohexanepropanoate
Ethyl cyclohexanepropionate
Ethyl cyclohexylpropionate
Ethyl hexahydrophenylpropionate
FEMA 2431
C11H20O2
184.2753
184.146329884
ethyl 3-cyclohexylpropanoate
ethyl 3-cyclohexylpropanoate
10094-36-7
CCOC(=O)CCC1CCCCC1
InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
NRVPMFHPHGBQLP-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
logp
3.58
logs
-3.71
solubility
3.62e-02 g/l
logp
3.03
pka_strongest_basic
-7
iupac
ethyl 3-cyclohexylpropanoate
average_mass
184.2753
mono_mass
184.146329884
smiles
CCOC(=O)CCC1CCCCC1
formula
C11H20O2
inchi
InChI=1S/C11H20O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h10H,2-9H2,1H3
inchikey
NRVPMFHPHGBQLP-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
52.54
polarizability
22.32
rotatable_bond_count
5
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::CMs
12145
Specdb::CMs
153082
Specdb::MsIr
4424
Specdb::MsIr
4425
Specdb::MsMs
79695
Specdb::MsMs
79696
Specdb::MsMs
79697
Specdb::MsMs
140349
Specdb::MsMs
140350
Specdb::MsMs
140351
Specdb::MsMs
2289489
Specdb::MsMs
2289490
Specdb::MsMs
2289491
Specdb::MsMs
2648790
Specdb::MsMs
2648791
Specdb::MsMs
2648792
HMDB31406
#<Reference:0x000055567554c4e8>
fruity
peach
pear
pineapple
powerful
sweet