1.0 2010-04-08 22:14:50 UTC 2019-11-26 03:18:34 UTC FDB020161 2-Phenylethyl formate Flavouring ingredient. 2-Phenylethyl formate is found in bilberry. &beta;-phenethyl formate &beta;-phenylethyl formate 2-Fenylethylester kyseliny mravenci 2-Phenethyl formate 2-Phenethyl methanoate 2-Phenylethyl formate, 9CI Benzeneethanol, formate Benzyl carbinyl formate Benzylcarbinyl formate Benzylcarbinyl methanoate beta -Phenethyl formate beta -Phenylethyl formate Beta-phenylethyl formate FEMA 2864 Formic acid, 2-phenylethyl ester Formic acid, phenethyl ester Phenethyl alcohol, formate Phenethyl alcohol, formate (8CI) Phenethyl formate Phenyl ethyl formate Phenylethyl formate C9H10O2 150.1745 150.068079564 2-phenylethyl formate 2-phenylethyl formate 104-62-1 O=COCCC1=CC=CC=C1 InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2 IKDIJXDZEYHZSD-UHFFFAOYSA-N belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene. Benzene and substituted derivatives Organic compounds Benzenoids Benzene and substituted derivatives Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound formate ester logp 2.14 ALOGPS logs -2.63 ALOGPS solubility 3.53e-01 g/l ALOGPS logp 1.89 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 2-phenylethyl formate ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles O=COCCC1=CC=CC=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c10-8-11-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2 ChemAxon inchikey IKDIJXDZEYHZSD-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 42.29 ChemAxon polarizability 16.01 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 8955 Specdb::MsIr 8956 Specdb::MsMs 71619 Specdb::MsMs 71620 Specdb::MsMs 71621 Specdb::MsMs 130323 Specdb::MsMs 130324 Specdb::MsMs 130325 Specdb::MsMs 2800294 Specdb::MsMs 2800295 Specdb::MsMs 2800296 Specdb::MsMs 2878313 Specdb::MsMs 2878314 Specdb::MsMs 2878315 Specdb::CMs 23064 Specdb::CMs 28607 Specdb::CMs 102132 Specdb::CMs 167852 HMDB40428 #<Reference:0x000055ce3280e1d8> Bilberry Type 1 specific Vaccinium myrtillus 180763 0.0001 0.0002 0.0 mg/100 g bitter green herbal hyacinth rose watercress