1.0 2010-04-08 22:14:41 UTC 2019-11-26 03:18:04 UTC FDB019922 2-Propenyl hexanoate Found in baked potato, pineapple and mushrooms. It is used in artificial pineapple flavourings 2-Propenyl hexanoate 2-Propenyl n-hexanoate Allocopen Allyl caproate Allyl hexanoate Allyl n-caproate Allyl n-hexanoate Allylester kyseliny kapronove FEMA 2032 Hexanoic acid, 2-propen-1-yl ester Hexanoic acid, 2-propenyl ester Hexanoic acid, allyl ester C9H16O2 156.2221 156.115029756 prop-2-en-1-yl hexanoate allyl caproate 123-68-2 CCCCCC(=O)OCC=C InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 RCSBILYQLVXLJG-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty acid. Fatty acid esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty acid esters Aliphatic acyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.02 ALOGPS logs -2.60 ALOGPS solubility 3.95e-01 g/l ALOGPS logp 2.69 ChemAxon pka_strongest_basic -7 ChemAxon iupac prop-2-en-1-yl hexanoate ChemAxon average_mass 156.2221 ChemAxon mono_mass 156.115029756 ChemAxon smiles CCCCCC(=O)OCC=C ChemAxon formula C9H16O2 ChemAxon inchi InChI=1S/C9H16O2/c1-3-5-6-7-9(10)11-8-4-2/h4H,2-3,5-8H2,1H3 ChemAxon inchikey RCSBILYQLVXLJG-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.01 ChemAxon polarizability 18.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::EiMs 1556 Specdb::CMs 12060 Specdb::CMs 29193 Specdb::CMs 102068 Specdb::CMs 133345 Specdb::CMs 141079 Specdb::NmrOneD 3823 Specdb::NmrOneD 4088 Specdb::MsMs 86775 Specdb::MsMs 86776 Specdb::MsMs 86777 Specdb::MsMs 149142 Specdb::MsMs 149143 Specdb::MsMs 149144 Specdb::MsMs 2840394 Specdb::MsMs 2840395 Specdb::MsMs 2840396 Specdb::MsMs 2864628 Specdb::MsMs 2864629 Specdb::MsMs 2864630 Specdb::MsIr 8783 Specdb::MsIr 8784 HMDB40210 #<Reference:0x000055ce31c44cd0> Common mushroom Type 1 specific Agaricus bisporus 5341 Fruits Unknown generic Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Potato Type 1 specific Solanum tuberosum 4113 arrack cognac ethereal fatty fruity pineapple rum sweet tropical