1.0 2010-04-08 22:12:58 UTC 2018-05-29 01:30:35 UTC FDB017233 beta-Santalyl acetate Mixture with a-santalyl acetate (*FEMA 3007*) is used as flavouring ingredient b-Santalyl acetate C17H26O2 262.3871 262.193280076 (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-yl acetate (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-yl acetate 77-43-0 CC(=O)OC\C(C)=C/CCC1(C)C2CCC(C2)C1=C InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6- RCFGRZLLBGMERD-SDQBBNPISA-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 5.07 ALOGPS logs -4.95 ALOGPS solubility 2.93e-03 g/l ALOGPS logp 3.68 ChemAxon pka_strongest_basic -7 ChemAxon iupac (2Z)-2-methyl-5-{2-methyl-3-methylidenebicyclo[2.2.1]heptan-2-yl}pent-2-en-1-yl acetate ChemAxon average_mass 262.3871 ChemAxon mono_mass 262.193280076 ChemAxon smiles CC(=O)OC\C(C)=C/CCC1(C)C2CCC(C2)C1=C ChemAxon formula C17H26O2 ChemAxon inchi InChI=1S/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3/b12-6- ChemAxon inchikey RCFGRZLLBGMERD-SDQBBNPISA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 78.38 ChemAxon polarizability 31.3 ChemAxon rotatable_bond_count 6 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 9568 Specdb::CMs 174742 Specdb::MsMs 55521 Specdb::MsMs 55522 Specdb::MsMs 55523 Specdb::MsMs 110685 Specdb::MsMs 110686 Specdb::MsMs 110687 Specdb::MsMs 2261257 Specdb::MsMs 2261258 Specdb::MsMs 2261259 Specdb::MsMs 3077007 Specdb::MsMs 3077008 Specdb::MsMs 3077009 HMDB38024 #<Reference:0x000055ce314a0150>