1.0 2010-04-08 22:12:41 UTC 2015-07-20 23:33:18 UTC FDB016844 1-Phenylethyl formate Flavouring ingredient &alpha;-methylbenzyl formate 1-Phenylethyl formate a-Methylbenzyl formate alpha-Methylbenzyl formate Benzenemethanol, &alpha;-methyl-, formate Benzenemethanol, alpha-methyl-, formate Benzyl alcohol, &alpha;-methyl-, formate Benzyl alcohol, alpha-methyl-, formate FEMA 2688 Styralyl formate C9H10O2 150.1745 150.068079564 1-phenylethyl formate 1-phenylethyl formate 7775-38-4 CC(OC=O)C1=CC=CC=C1 InChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3 RUDZCBJWUDOPTP-UHFFFAOYSA-N belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyloxycarbonyls Organic compounds Benzenoids Benzene and substituted derivatives Benzyloxycarbonyls Aromatic homomonocyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.20 ALOGPS logs -2.26 ALOGPS solubility 8.23e-01 g/l ALOGPS logp 2.01 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac 1-phenylethyl formate ChemAxon average_mass 150.1745 ChemAxon mono_mass 150.068079564 ChemAxon smiles CC(OC=O)C1=CC=CC=C1 ChemAxon formula C9H10O2 ChemAxon inchi InChI=1S/C9H10O2/c1-8(11-7-10)9-5-3-2-4-6-9/h2-8H,1H3 ChemAxon inchikey RUDZCBJWUDOPTP-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 41.95 ChemAxon polarizability 15.67 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18960 Specdb::CMs 133032 Specdb::CMs 140766 Specdb::MsIr 7617 Specdb::MsIr 7618 Specdb::MsMs 109986 Specdb::MsMs 109987 Specdb::MsMs 109988 Specdb::MsMs 177549 Specdb::MsMs 177550 Specdb::MsMs 177551 Specdb::MsMs 2469412 Specdb::MsMs 2469413 Specdb::MsMs 2469414 Specdb::MsMs 2493545 Specdb::MsMs 2493546 Specdb::MsMs 2493547 HMDB37715 #<Reference:0x000055ce324dd0b8> floral gardenia green mimosa woody