1.0 2010-04-08 22:10:42 UTC 2019-11-26 03:08:23 UTC FDB013410 Citronellyl acetate It is used as a food additive (+)-beta-Citronellol acetate (+)-R-Citronellol acetate (R)-(+)-beta-Citronellol acetate (R)-3,7-Dimethyloct-6-enyl acetate 3,7-Dimethyl-acetate(R)-6-octen-1-ol 6-Octen-1-ol, 3,7-dimethyl-, acetate, (R)- C12H22O2 198.3019 198.161979948 (3R)-3,7-dimethyloct-6-en-1-yl acetate (3R)-3,7-dimethyloct-6-en-1-yl acetate 150-84-5 C[C@@H](CCOC(C)=O)CCC=C(C)C InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1 JOZKFWLRHCDGJA-LLVKDONJSA-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 Acyclic monoterpenoids Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Acyclic monoterpenoid Aliphatic acyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty alcohol ester Hydrocarbon derivative Monocarboxylic acid or derivatives Monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound logp 4.13 ALOGPS logs -3.46 ALOGPS solubility 6.85e-02 g/l ALOGPS logp 3.19 ChemAxon pka_strongest_basic -7 ChemAxon iupac (3R)-3,7-dimethyloct-6-en-1-yl acetate ChemAxon average_mass 198.3019 ChemAxon mono_mass 198.161979948 ChemAxon smiles C[C@@H](CCOC(C)=O)CCC=C(C)C ChemAxon formula C12H22O2 ChemAxon inchi InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h6,11H,5,7-9H2,1-4H3/t11-/m1/s1 ChemAxon inchikey JOZKFWLRHCDGJA-LLVKDONJSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 59.64 ChemAxon polarizability 24.41 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 18113 Specdb::CMs 154937 Specdb::MsMs 306148 Specdb::MsMs 306149 Specdb::MsMs 306150 Specdb::MsMs 349696 Specdb::MsMs 349697 Specdb::MsMs 349698 Specdb::MsMs 2260897 Specdb::MsMs 2260898 Specdb::MsMs 2260899 Specdb::MsMs 3078171 Specdb::MsMs 3078172 Specdb::MsMs 3078173 HMDB34844 #<Reference:0x000055ac3f36d300> Celery stalks Type 1 specific Apium graveolens var. dulce 117781 dust rose