1.0 2010-04-08 22:11:44 UTC 2015-07-20 23:16:05 UTC FDB015264 1-Phenylpropyl butyrate Flavouring ingredient 1-Phenyl-1-propyl butyrate 1-Phenylpropyl butanoate 1-Phenylpropyl butyrate a-Ethylbenzyl butyrate Alpha-ethylbenzyl butyrate Alpha-phenylpropyl butyrate Butanoic acid, 1-phenylpropyl ester Butyric acid, alpha-ethylbenzyl ester Ethyl phenyl carbinyl butyrate FEMA 2424 C13H18O2 206.2808 206.13067982 1-phenylpropyl butanoate 1-phenylpropyl butanoate 10031-86-4 CCCC(=O)OC(CC)C1=CC=CC=C1 InChI=1S/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3 SNUDRKNHOSAKGS-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 Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Phenylpropanes Aromatic homomonocyclic compound Benzyloxycarbonyl Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Phenylpropane logp 3.81 ALOGPS logs -3.78 ALOGPS solubility 3.46e-02 g/l ALOGPS logp 3.73 ChemAxon pka_strongest_basic -7.1 ChemAxon iupac 1-phenylpropyl butanoate ChemAxon average_mass 206.2808 ChemAxon mono_mass 206.13067982 ChemAxon smiles CCCC(=O)OC(CC)C1=CC=CC=C1 ChemAxon formula C13H18O2 ChemAxon inchi InChI=1S/C13H18O2/c1-3-8-13(14)15-12(4-2)11-9-6-5-7-10-11/h5-7,9-10,12H,3-4,8H2,1-2H3 ChemAxon inchikey SNUDRKNHOSAKGS-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 60.2 ChemAxon polarizability 23.91 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 14498 Specdb::CMs 154463 Specdb::MsIr 7251 Specdb::MsIr 7252 Specdb::MsMs 53832 Specdb::MsMs 53833 Specdb::MsMs 53834 Specdb::MsMs 127701 Specdb::MsMs 127702 Specdb::MsMs 127703 Specdb::MsMs 2722353 Specdb::MsMs 2722354 Specdb::MsMs 2722355 Specdb::MsMs 2959923 Specdb::MsMs 2959924 Specdb::MsMs 2959925 HMDB36386 #<Reference:0x00007f093c068f28> apricot floral fruity jasmin plum