1.02010-04-08 22:12:21 UTC2015-07-20 23:28:14 UTCFDB016291beta-Caryophyllene alcohol acetateFlavouring ingredient. Not reported in natureBeta-caryophyllene alcohol acetateC17H28O2264.403264.208930144,4,8-trimethyltricyclo[6.3.1.0²,⁵]dodecan-1-yl acetate4,4,8-trimethyltricyclo[6.3.1.0²,⁵]dodecan-1-yl acetate62532-51-8CC(=O)OC12CCCC(C)(C1)CCC1C2CC1(C)CInChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3SJDDHMSVZMBJPH-UHFFFAOYSA-N belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).Carboxylic acid estersOrganic compoundsOrganic acids and derivativesCarboxylic acids and derivativesCarboxylic acid derivativesAliphatic homopolycyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic homopolycyclic compoundCarbonyl groupCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp4.06logs-5.59solubility6.81e-04 g/lmelting_pointMp 40°logp3.87pka_strongest_basic-7iupac4,4,8-trimethyltricyclo[6.3.1.0²,⁵]dodecan-1-yl acetateaverage_mass264.403mono_mass264.20893014smilesCC(=O)OC12CCCC(C)(C1)CCC1C2CC1(C)CformulaC17H28O2inchiInChI=1S/C17H28O2/c1-12(18)19-17-8-5-7-16(4,11-17)9-6-13-14(17)10-15(13,2)3/h13-14H,5-11H2,1-4H3inchikeySJDDHMSVZMBJPH-UHFFFAOYSA-Npolar_surface_area26.3refractivity75.65polarizability31.51rotatable_bond_count2acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs14159Specdb::CMs160223Specdb::MsMs102414Specdb::MsMs102415Specdb::MsMs102416Specdb::MsMs168225Specdb::MsMs168226Specdb::MsMs168227Specdb::MsMs2434405Specdb::MsMs2434406Specdb::MsMs2434407Specdb::MsMs2504189Specdb::MsMs2504190Specdb::MsMs2504191HMDB37273602138#<Reference:0x00005556745d4c68>dryearthywoody