1.0 2010-04-08 22:15:06 UTC 2019-11-26 03:19:05 UTC FDB020539 Butyl salicylate Present in mountain papaya (Carica pubescens). Flavouring agent. Butyl salicylate is found in fruits. 2-Hydroxy-benzoic acid, butyl ester Benzoic acid, 2-hydroxy-, butyl ester Benzoic acid, hydroxy-, butyl ester Brunol Butyl (2-hydroxyphenyl)formate Butyl 2-hydroxybenzoate Butyl hydroxybenzoate Butyl o-hydroxybenzoate Butyl salicylate FEMA 3650 N-butyl o-hydroxybenzoate N-butyl salicylate Salicylic acid n-butyl ester Salicylic acid, butyl ester C11H14O3 194.2271 194.094294314 butyl 2-hydroxybenzoate butyl 2-hydroxybenzoate 2052-14-4 CCCCOC(=O)C1=CC=CC=C1O InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3 YFDUWSBGVPBWKF-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 Liquid logp 3.60 ALOGPS logs -2.55 ALOGPS solubility 5.42e-01 g/l ALOGPS melting_point Mp 6° logp 3.65 ChemAxon pka_strongest_acidic 9.72 ChemAxon pka_strongest_basic -4.3 ChemAxon iupac butyl 2-hydroxybenzoate ChemAxon average_mass 194.2271 ChemAxon mono_mass 194.094294314 ChemAxon smiles CCCCOC(=O)C1=CC=CC=C1O ChemAxon formula C11H14O3 ChemAxon inchi InChI=1S/C11H14O3/c1-2-3-8-14-11(13)9-6-4-5-7-10(9)12/h4-7,12H,2-3,8H2,1H3 ChemAxon inchikey YFDUWSBGVPBWKF-UHFFFAOYSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 53.94 ChemAxon polarizability 21.28 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 9068 Specdb::MsIr 9069 Specdb::MsIr 9070 Specdb::CMs 18538 Specdb::CMs 26764 Specdb::CMs 28045 Specdb::CMs 29337 Specdb::CMs 29362 Specdb::CMs 46935 Specdb::CMs 102180 Specdb::CMs 102181 Specdb::CMs 102182 Specdb::CMs 102183 Specdb::CMs 168460 Specdb::MsMs 64083 Specdb::MsMs 64084 Specdb::MsMs 64085 Specdb::MsMs 121143 Specdb::MsMs 121144 Specdb::MsMs 121145 Specdb::MsMs 2730886 Specdb::MsMs 2730887 Specdb::MsMs 2730888 Specdb::MsMs 2975066 Specdb::MsMs 2975067 Specdb::MsMs 2975068 HMDB40730 #<Reference:0x0000561272e9f860> Fruits Unknown generic clover ethyl benzoate harsh