1.0 2010-04-08 22:10:32 UTC 2019-11-26 03:08:00 UTC FDB013123 Hexyl propionate Flavouring ingredient 1-Hexyl propanoate 1-Hexyl propionate FEMA 2576 Hexyl propanoate Hexyl propionate N-hexyl n-propionate N-hexyl propionate Propanoic acid, hexyl ester Propionic acid, hexyl ester C9H18O2 158.238 158.13067982 hexyl propanoate propanoic acid, hexyl ester 2445-76-3 CCCCCCOC(=O)CC InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3 GOKKOFHHJFGZHW-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 Wax monoesters fatty acid ester propanoate ester logp 3.42 ALOGPS logs -2.79 ALOGPS solubility 2.54e-01 g/l ALOGPS melting_point Mp -57.5° logp 2.84 ChemAxon pka_strongest_basic -7 ChemAxon iupac hexyl propanoate ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCCCCOC(=O)CC ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3 ChemAxon inchikey GOKKOFHHJFGZHW-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.12 ChemAxon polarizability 19.6 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6648 Specdb::MsIr 6649 Specdb::CMs 21587 Specdb::CMs 28290 Specdb::CMs 101649 Specdb::CMs 132356 Specdb::CMs 140090 Specdb::MsMs 85701 Specdb::MsMs 85702 Specdb::MsMs 85703 Specdb::MsMs 147840 Specdb::MsMs 147841 Specdb::MsMs 147842 Specdb::MsMs 2297108 Specdb::MsMs 2297109 Specdb::MsMs 2297110 Specdb::MsMs 2642526 Specdb::MsMs 2642527 Specdb::MsMs 2642528 HMDB34606 #<Reference:0x000055ce32b53cd0> Apple Type 1 specific Malus pumila 283210 Asian pear Type 1 specific Pyrus pyrifolia 3767 Sweet cherry Type 1 specific Prunus avium 42229 fruit fruity green melon musty pear rotting