1.0
2010-04-08 22:04:56 UTC
2015-07-20 21:40:06 UTC
FDB001368
Methyl 3-phenylpropanoate
Flavouring ingredient
Benzenepropanoic acid, methyl ester
beta -Phenylpropionic acid methyl ester
beta-Phenylpropionic acid methyl ester
Dihydromethyl cinnamate
FEMA 2741
Hydrocinnamic acid, methyl ester
Hydrocinnamic acid, methyl ester (8ci)
Methyl (3-phenyi) propanoate
Methyl 3-phenylpropanoate
Methyl 3-phenylpropionate
Methyl benzenepropanoate
Methyl beta -phenylpropionate
Methyl beta-phenylpropionate
Methyl dihydrocinnamate
Methyl esterof beta -phenylpropionic acid
Methyl hydrocinnamate
Methyl phenylpropionate
C10H12O2
164.2011
164.083729628
methyl 3-phenylpropanoate
methyl B-phenylpropionate
103-25-3
COC(=O)CCC1=CC=CC=C1
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
RPUSRLKKXPQSGP-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
Aromatic homomonocyclic compounds
Benzene and substituted derivatives
Carbonyl compounds
Hydrocarbon derivatives
Methyl esters
Monocarboxylic acids and derivatives
Organic oxides
Aromatic homomonocyclic compound
Benzenoid
Carbonyl group
Carboxylic acid derivative
Carboxylic acid ester
Fatty acid ester
Hydrocarbon derivative
Methyl ester
Monocarboxylic acid or derivatives
Monocyclic benzene moiety
Organic oxide
Organic oxygen compound
Organooxygen compound
Liquid
logp
2.35
logs
-2.87
solubility
2.24e-01 g/l
logp
2.2
pka_strongest_basic
-7
iupac
methyl 3-phenylpropanoate
average_mass
164.2011
mono_mass
164.083729628
smiles
COC(=O)CCC1=CC=CC=C1
formula
C10H12O2
inchi
InChI=1S/C10H12O2/c1-12-10(11)8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
inchikey
RPUSRLKKXPQSGP-UHFFFAOYSA-N
polar_surface_area
26.3
refractivity
46.74
polarizability
18.14
rotatable_bond_count
4
acceptor_count
1
donor_count
0
physiological_charge
0
formal_charge
0
Specdb::MsIr
3817
Specdb::MsIr
3818
Specdb::CMs
25965
Specdb::CMs
27213
Specdb::CMs
27363
Specdb::CMs
29060
Specdb::CMs
29158
Specdb::CMs
29636
Specdb::CMs
100513
Specdb::CMs
100514
Specdb::CMs
100515
Specdb::CMs
100516
Specdb::CMs
100517
Specdb::CMs
155382
Specdb::MsMs
12836
Specdb::MsMs
12837
Specdb::MsMs
12838
Specdb::MsMs
19508
Specdb::MsMs
19509
Specdb::MsMs
19510
Specdb::MsMs
2831809
Specdb::MsMs
2831810
Specdb::MsMs
2831811
Specdb::MsMs
2849845
Specdb::MsMs
2849846
Specdb::MsMs
2849847
HMDB30060
#<Reference:0x0000555675e5c880>
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