1.0 2010-04-08 22:12:17 UTC 2015-07-20 23:26:45 UTC FDB016186 (±)-1,4-Nonanediol diacetate Flavouring ingredient 1,4-Nonadiol diacetate 1,4-Nonanediol diacetate 1,4-Nonanediol, diacetate Nonanediol-1,4-acetate C13H24O4 244.3273 244.167459256 1-(acetyloxy)nonan-4-yl acetate 1-(acetyloxy)nonan-4-yl acetate 67715-81-5 CCCCCC(CCCOC(C)=O)OC(C)=O InChI=1S/C13H24O4/c1-4-5-6-8-13(17-12(3)15)9-7-10-16-11(2)14/h13H,4-10H2,1-3H3 ZCDPXYMKJQTCSP-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 Dicarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Dicarboxylic acid or derivatives Fatty alcohol ester Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound logp 3.45 ALOGPS logs -3.78 ALOGPS solubility 4.10e-02 g/l ALOGPS logp 2.52 ChemAxon pka_strongest_basic -6.7 ChemAxon iupac 1-(acetyloxy)nonan-4-yl acetate ChemAxon average_mass 244.3273 ChemAxon mono_mass 244.167459256 ChemAxon smiles CCCCCC(CCCOC(C)=O)OC(C)=O ChemAxon formula C13H24O4 ChemAxon inchi InChI=1S/C13H24O4/c1-4-5-6-8-13(17-12(3)15)9-7-10-16-11(2)14/h13H,4-10H2,1-3H3 ChemAxon inchikey ZCDPXYMKJQTCSP-UHFFFAOYSA-N ChemAxon polar_surface_area 52.6 ChemAxon refractivity 65.11 ChemAxon polarizability 28.42 ChemAxon rotatable_bond_count 11 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26479 Specdb::CMs 163085 Specdb::MsMs 64359 Specdb::MsMs 64360 Specdb::MsMs 64361 Specdb::MsMs 121488 Specdb::MsMs 121489 Specdb::MsMs 121490 Specdb::MsMs 2742442 Specdb::MsMs 2742443 Specdb::MsMs 2742444 Specdb::MsMs 2939852 Specdb::MsMs 2939853 Specdb::MsMs 2939854 HMDB37184 #<Reference:0x000055ce31a03e80>