1.0 2010-04-08 22:08:05 UTC 2019-11-26 03:02:37 UTC FDB008434 Propyl benzoate Present in cherry and clove stem, also in butter. Flavouring ingredient Propyl benzoate is an organic chemical compound used as a food additive. Propyl benzoate is found in milk and milk products and cloves. Benzoate de propyle Benzoic acid n-propyl ester Benzoic acid, propyl ester FEMA 2931 N-propyl benzoate Propyl benzenecarboxylate Propyl benzoate C10H12O2 164.2011 164.083729628 propyl benzoate propyl benzoate 2315-68-6 CCCOC(=O)C1=CC=CC=C1 InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 UDEWPOVQBGFNGE-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid. Benzoic acid esters Organic compounds Benzenoids Benzene and substituted derivatives Benzoic acids and derivatives Aromatic homomonocyclic compounds Benzoyl derivatives Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organooxygen compounds Aromatic homomonocyclic compound Benzoate ester Benzoyl Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 2.92 ALOGPS logs -2.80 ALOGPS solubility 2.62e-01 g/l ALOGPS melting_point Fp -51--52° logp 2.86 ChemAxon pka_strongest_basic -6.9 ChemAxon iupac propyl benzoate ChemAxon average_mass 164.2011 ChemAxon mono_mass 164.083729628 ChemAxon smiles CCCOC(=O)C1=CC=CC=C1 ChemAxon formula C10H12O2 ChemAxon inchi InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 ChemAxon inchikey UDEWPOVQBGFNGE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 47.36 ChemAxon polarizability 18.34 ChemAxon rotatable_bond_count 4 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 107181 Specdb::MsMs 107182 Specdb::MsMs 107183 Specdb::MsMs 174087 Specdb::MsMs 174088 Specdb::MsMs 174089 Specdb::MsMs 2659018 Specdb::MsMs 2659019 Specdb::MsMs 2659020 Specdb::MsMs 3019116 Specdb::MsMs 3019117 Specdb::MsMs 3019118 Specdb::MsIr 4912 Specdb::MsIr 4913 Specdb::CMs 16529 Specdb::CMs 26753 Specdb::CMs 27036 Specdb::CMs 27417 Specdb::CMs 27798 Specdb::CMs 27835 Specdb::CMs 27840 Specdb::CMs 29120 Specdb::CMs 100944 Specdb::CMs 100945 Specdb::CMs 100946 Specdb::CMs 100947 Specdb::CMs 100948 Specdb::CMs 100949 Specdb::CMs 100950 Specdb::CMs 134214 Specdb::CMs 141948 HMDB31761 #<Reference:0x000055ce32e03160> Cloves Type 1 specific Syzygium aromaticum 219868 Milk and milk products Unknown generic balsam nutty