1.0 2010-04-08 22:13:26 UTC 2015-07-21 06:24:38 UTC FDB017995 Amyl salicylate Flavouring agent 2-Hydroxybenzoic acid, pentyl ester Amyl salicylate Benzoic acid, 2-hydroxy-, pentyl ester N-Amyl salicylate Pentyl 2-hydroxybenzoate Pentyl salicylate Salicylic acid, amyl ester Salicylic acid, pentyl ester C12H16O3 208.2536 208.109944378 pentyl 2-hydroxybenzoate pentyl 2-hydroxybenzoate 2050-08-0 CCCCCOC(=O)C1=CC=CC=C1O InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3 RANVDUNFZBMTBK-UHFFFAOYSA-N belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy group. o-Hydroxybenzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Salicylic acid and derivatives Vinylogous acids 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aromatic homomonocyclic compound Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives O-hydroxybenzoic acid ester Organic oxide Organic oxygen compound Organooxygen compound Phenol Salicylic acid or derivatives Vinylogous acid logp 4.26 ALOGPS logs -3.00 ALOGPS solubility 2.09e-01 g/l ALOGPS logp 4.09 ChemAxon pka_strongest_acidic 9.72 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac pentyl 2-hydroxybenzoate ChemAxon average_mass 208.2536 ChemAxon mono_mass 208.109944378 ChemAxon smiles CCCCCOC(=O)C1=CC=CC=C1O ChemAxon formula C12H16O3 ChemAxon inchi InChI=1S/C12H16O3/c1-2-3-6-9-15-12(14)10-7-4-5-8-11(10)13/h4-5,7-8,13H,2-3,6,9H2,1H3 ChemAxon inchikey RANVDUNFZBMTBK-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 58.54 ChemAxon polarizability 23.39 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18284 Specdb::CMs 27956 Specdb::CMs 29364 Specdb::CMs 45937 Specdb::CMs 101981 Specdb::CMs 101982 Specdb::CMs 167856 Specdb::MsIr 7980 Specdb::MsIr 7981 Specdb::MsIr 7982 Specdb::MsMs 306526 Specdb::MsMs 306527 Specdb::MsMs 306528 Specdb::MsMs 350209 Specdb::MsMs 350210 Specdb::MsMs 350211 Specdb::MsMs 2699683 Specdb::MsMs 2699684 Specdb::MsMs 2699685 Specdb::MsMs 3006051 Specdb::MsMs 3006052 Specdb::MsMs 3006053 HMDB38604 #<Reference:0x000055ce31bf7700> azalea chocolate clover floral green herbal sweet