1.0 2010-04-08 22:08:00 UTC 2015-07-20 22:20:35 UTC FDB008287 Pentyl propanoate Flavouring ingredient Pentyl propanoate is an organic compound which is the ester formed by the condensation of pentanol and propanoic acid. It is also known as apricot essence. Amyl propanoate Amyl propionate N-amyl n-propionate N-amyl propionate N-pentyl propanoate N-pentyl propionate Pentyl propanate Pentyl propanoate Pentyl propionate Propanoic acid, pentyl ester Propionic acid, pentyl ester Propionic acid, pentyl ester (6CI,7CI,8CI) C8H16O2 144.2114 144.115029756 pentyl propanoate amyl propionate 624-54-4 CCCCCOC(=O)CC InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 TWSRVQVEYJNFKQ-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group). Carboxylic acid esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound propanoate ester logp 2.93 ALOGPS logs -2.16 ALOGPS solubility 1.00e+00 g/l ALOGPS melting_point Fp -73.1° logp 2.39 ChemAxon pka_strongest_basic -7 ChemAxon iupac pentyl propanoate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCCOC(=O)CC ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-3-5-6-7-10-8(9)4-2/h3-7H2,1-2H3 ChemAxon inchikey TWSRVQVEYJNFKQ-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.51 ChemAxon polarizability 17.51 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 59652 Specdb::MsMs 59653 Specdb::MsMs 59654 Specdb::MsMs 115839 Specdb::MsMs 115840 Specdb::MsMs 115841 Specdb::MsMs 2325888 Specdb::MsMs 2325889 Specdb::MsMs 2325890 Specdb::MsMs 2612272 Specdb::MsMs 2612273 Specdb::MsMs 2612274 Specdb::MsIr 4776 Specdb::MsIr 4777 Specdb::CMs 3442 Specdb::CMs 28287 Specdb::CMs 100902 Specdb::CMs 174102 Specdb::NmrOneD 305931 Specdb::NmrOneD 305932 Specdb::NmrOneD 305933 Specdb::NmrOneD 305934 Specdb::NmrOneD 305935 Specdb::NmrOneD 305936 Specdb::NmrOneD 305937 Specdb::NmrOneD 305938 Specdb::NmrOneD 305939 Specdb::NmrOneD 305940 Specdb::NmrOneD 305941 Specdb::NmrOneD 305942 Specdb::NmrOneD 305943 Specdb::NmrOneD 305944 Specdb::NmrOneD 305945 Specdb::NmrOneD 305946 Specdb::NmrOneD 305947 Specdb::NmrOneD 305948 Specdb::NmrOneD 305949 Specdb::NmrOneD 305950 HMDB31638 #<Reference:0x000055ce3166eb08> apricot fruity pineapple sweet