1.0 2010-04-08 22:10:24 UTC 2015-07-20 22:54:45 UTC FDB012868 Heptyl formate Heptyl formate is a food flavour Heptyl formate belongs to the family of Carboxylic Acid Esters. These are carboxylic acid derivatives in which the carbo atom from the carbonyl group is atached to an alkyl or oaryl moiety through an oxygen atom (forming an ester group). FEMA 2552 Formic acid, heptyl ester Heptanol, formate Heptyl alcohol formate Heptyl alcohol, formate Heptyl formate Heptyl methanote Methanoic acid, heptyl ester N-heptyl formate N-heptyl methanoate C8H16O2 144.2114 144.115029756 heptyl formate formic acid, heptyl ester 112-23-2 CCCCCCCOC=O InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3 XEAMDSXSXYAICO-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 logp 3.26 ALOGPS logs -2.80 ALOGPS solubility 2.28e-01 g/l ALOGPS logp 2.53 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac heptyl formate ChemAxon average_mass 144.2114 ChemAxon mono_mass 144.115029756 ChemAxon smiles CCCCCCCOC=O ChemAxon formula C8H16O2 ChemAxon inchi InChI=1S/C8H16O2/c1-2-3-4-5-6-7-10-8-9/h8H,2-7H2,1H3 ChemAxon inchikey XEAMDSXSXYAICO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 40.6 ChemAxon polarizability 17.52 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 19319 Specdb::CMs 28338 Specdb::CMs 101639 Specdb::CMs 135479 Specdb::CMs 143213 Specdb::MsIr 6624 Specdb::MsIr 6625 Specdb::MsMs 98220 Specdb::MsMs 98221 Specdb::MsMs 98222 Specdb::MsMs 163092 Specdb::MsMs 163093 Specdb::MsMs 163094 Specdb::MsMs 3059176 Specdb::MsMs 3059177 Specdb::MsMs 3059178 Specdb::MsMs 3107153 Specdb::MsMs 3107154 Specdb::MsMs 3107155 HMDB34459 #<Reference:0x000055ce315a3020> apple cucumber floral green herbal plum waxy