1.0 2010-04-08 22:12:46 UTC 2015-07-20 23:34:32 UTC FDB016981 Vetiveryl acetate Food flavouring Vetiver acetate Vetiver acetate, java Vetiverol, acetate Vetivert acetate Vetiveryl acetate Vetiveryl acetate (vetiveria zizanioides (l.) nash) C17H26O2 262.3871 262.193280076 4,8-dimethyl-2-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl acetate 4,8-dimethyl-2-(propan-2-ylidene)-3,3a,4,5,6,8a-hexahydro-1H-azulen-6-yl acetate 62563-80-8 CC1CC(OC(C)=O)C=C(C)C2CC(CC12)=C(C)C InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3 UAVFEMBKDRODDE-UHFFFAOYSA-N belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Sesquiterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Sesquiterpenoids Aliphatic homopolycyclic compounds Carbonyl compounds Carboxylic acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid derivative Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Sesquiterpenoid logp 4.47 ALOGPS logs -3.82 ALOGPS solubility 3.98e-02 g/l ALOGPS logp 3.62 ChemAxon pka_strongest_basic -7 ChemAxon iupac 4,8-dimethyl-2-(propan-2-ylidene)-1,2,3,3a,4,5,6,8a-octahydroazulen-6-yl acetate ChemAxon average_mass 262.3871 ChemAxon mono_mass 262.193280076 ChemAxon smiles CC1CC(OC(C)=O)C=C(C)C2CC(CC12)=C(C)C ChemAxon formula C17H26O2 ChemAxon inchi InChI=1S/C17H26O2/c1-10(2)14-8-16-11(3)6-15(19-13(5)18)7-12(4)17(16)9-14/h6,12,15-17H,7-9H2,1-5H3 ChemAxon inchikey UAVFEMBKDRODDE-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 79 ChemAxon polarizability 31.44 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16431 Specdb::CMs 148571 Specdb::MsMs 105072 Specdb::MsMs 105073 Specdb::MsMs 105074 Specdb::MsMs 171486 Specdb::MsMs 171487 Specdb::MsMs 171488 Specdb::MsMs 2354095 Specdb::MsMs 2354096 Specdb::MsMs 2354097 Specdb::MsMs 2585291 Specdb::MsMs 2585292 Specdb::MsMs 2585293 HMDB37832 #<Reference:0x000055ce32227508> dry powdery root sandal sweet vetiver woody