1.0 2010-04-08 22:09:20 UTC 2019-11-26 03:04:12 UTC FDB010854 Hexyl formate Present in fruits e.g. apple, grape, peach, strawberry, black tea, licorice and other foods. Flavouring ingredient. Hexyl formate is found in many foods, some of which are peach, apple, fruits, and root vegetables. FEMA 2570 Formic acid, hexyl ester Hexyl formate Hexyl formiate Hexyl methanoate N-hexyl formate N-hexyl methanoate C7H14O2 130.1849 130.099379692 hexyl formate formic acid, hexyl ester 629-33-4 CCCCCCOC=O InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3 OUGPMNMLWKSBRI-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 Liquid logp 2.59 ALOGPS logs -2.11 ALOGPS solubility 1.00e+00 g/l ALOGPS melting_point -62.6 oC logp 2.09 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac hexyl formate ChemAxon average_mass 130.1849 ChemAxon mono_mass 130.099379692 ChemAxon smiles CCCCCCOC=O ChemAxon formula C7H14O2 ChemAxon inchi InChI=1S/C7H14O2/c1-2-3-4-5-6-9-7-8/h7H,2-6H2,1H3 ChemAxon inchikey OUGPMNMLWKSBRI-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 36 ChemAxon polarizability 15.44 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9977 Specdb::CMs 28337 Specdb::CMs 101265 Specdb::CMs 174347 Specdb::MsIr 5762 Specdb::MsIr 5763 Specdb::MsMs 87087 Specdb::MsMs 87088 Specdb::MsMs 87089 Specdb::MsMs 149523 Specdb::MsMs 149524 Specdb::MsMs 149525 Specdb::MsMs 2777174 Specdb::MsMs 2777175 Specdb::MsMs 2777176 Specdb::MsMs 2902206 Specdb::MsMs 2902207 Specdb::MsMs 2902208 HMDB32874 #<Reference:0x00007f093c031fc8> Apple Type 1 specific Malus pumila 283210 Black tea Type 1 Fruits Unknown generic Green tea Type 1 Herbal tea Type 1 Peach Type 1 specific Prunus persica 3760 Pomes Unknown generic Red tea Type 1 Root vegetables Unknown generic Tea Type 1 specific Camellia sinensis 4442 apple banana sweet unripe plum Name 936 A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell.