1.0 2010-04-08 22:13:26 UTC 2019-11-26 03:15:31 UTC FDB017994 Octyl formate Octyl formate is a fragrance and flavouring ingredient. It is found in Scotch spearmint oil and grilled or roast beef. It is also found in herbs and spices. 1-Octyl formate FEMA 2809 Formic acid, octyl ester N-octyl formate N-octyl methanoate Octyl alcohol, formate Octyl alcohol, formate (6CI) Octyl formate Octyl formiate Octyl methanoate C9H18O2 158.238 158.13067982 octyl formate formic acid, octyl ester 112-32-3 CCCCCCCCOC=O InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3 AVBRYQRTMPHARE-UHFFFAOYSA-N belongs to the class of organic compounds known as fatty alcohol esters. These are ester derivatives of a fatty alcohol. Fatty alcohol esters Organic compounds Lipids and lipid-like molecules Fatty Acyls Fatty alcohol 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 alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound formate ester Liquid logp 3.82 ALOGPS logs -3.38 ALOGPS solubility 6.59e-02 g/l ALOGPS melting_point -39.1 oC logp 2.98 ChemAxon pka_strongest_basic -6.8 ChemAxon iupac octyl formate ChemAxon average_mass 158.238 ChemAxon mono_mass 158.13067982 ChemAxon smiles CCCCCCCCOC=O ChemAxon formula C9H18O2 ChemAxon inchi InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3 ChemAxon inchikey AVBRYQRTMPHARE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 45.2 ChemAxon polarizability 19.61 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11810 Specdb::CMs 28339 Specdb::CMs 101980 Specdb::CMs 135648 Specdb::CMs 143382 Specdb::MsIr 7978 Specdb::MsIr 7979 Specdb::MsMs 66843 Specdb::MsMs 66844 Specdb::MsMs 66845 Specdb::MsMs 124518 Specdb::MsMs 124519 Specdb::MsMs 124520 Specdb::MsMs 2693054 Specdb::MsMs 2693055 Specdb::MsMs 2693056 Specdb::MsMs 2986009 Specdb::MsMs 2986010 Specdb::MsMs 2986011 HMDB38603 #<Reference:0x000055ce320f37e0> Blackberry Type 1 specific Rubus Herbs and Spices Unknown generic cucumber fruity orange rose waxy