1.0 2010-04-08 22:11:04 UTC 2019-11-26 03:09:30 UTC FDB014086 (R)-Dihydrocitronellol acetate Found in essential oil of Mentha subspecies (R)-3,7-Dimethyl-1-octanol acetate (R)-Dihydrocitronellol acetate C12H24O2 200.3178 200.177630012 3,7-dimethyloctyl acetate 3,7-dimethyloctyl acetate CC(C)CCCC(C)CCOC(C)=O InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3 XFPXWDJICXBWRU-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 logp 4.60 ALOGPS logs -4.54 ALOGPS solubility 5.77e-03 g/l ALOGPS logp 3.6 ChemAxon pka_strongest_basic -7 ChemAxon iupac 3,7-dimethyloctyl acetate ChemAxon average_mass 200.3178 ChemAxon mono_mass 200.177630012 ChemAxon smiles CC(C)CCCC(C)CCOC(C)=O ChemAxon formula C12H24O2 ChemAxon inchi InChI=1S/C12H24O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h10-11H,5-9H2,1-4H3 ChemAxon inchikey XFPXWDJICXBWRU-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.79 ChemAxon polarizability 25.23 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 6920 Specdb::MsIr 6921 Specdb::CMs 19943 Specdb::CMs 137823 Specdb::CMs 145557 Specdb::MsMs 66618 Specdb::MsMs 66619 Specdb::MsMs 66620 Specdb::MsMs 124230 Specdb::MsMs 124231 Specdb::MsMs 124232 Specdb::MsMs 2350933 Specdb::MsMs 2350934 Specdb::MsMs 2350935 Specdb::MsMs 2588632 Specdb::MsMs 2588633 Specdb::MsMs 2588634 HMDB35410 #<Reference:0x000055ce31d7db88> Herbs and Spices Unknown generic