1.02010-04-08 22:11:31 UTC2018-05-29 01:15:16 UTCFDB014870Artemisia alcohol acetateFrom Artemisia subspeciesAcetic ester of l-beta-artemisia alcoholArtemisia acetateArtemisia alcohol acetateArtemisia alcohol, acetateArtemisyl acetateC12H20O2196.286196.1463298843,3,6-trimethylhepta-1,5-dien-4-yl acetate3,3,6-trimethylhepta-1,5-dien-4-yl acetate3465-88-1CC(C)=CC(OC(C)=O)C(C)(C)C=CInChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3NGIKFWJEQGLTBM-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 acyclic compoundsCarbonyl compoundsHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesAliphatic acyclic compoundCarbonyl groupCarboxylic acid esterHydrocarbon derivativeMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundlogp3.85logs-3.37solubility8.39e-02 g/llogp3.11pka_strongest_basic-7iupac3,3,6-trimethylhepta-1,5-dien-4-yl acetateaverage_mass196.286mono_mass196.146329884smilesCC(C)=CC(OC(C)=O)C(C)(C)C=CformulaC12H20O2inchiInChI=1S/C12H20O2/c1-7-12(5,6)11(8-9(2)3)14-10(4)13/h7-8,11H,1H2,2-6H3inchikeyNGIKFWJEQGLTBM-UHFFFAOYSA-Npolar_surface_area26.3refractivity58.99polarizability22.82rotatable_bond_count5acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::CMs25368Specdb::CMs159242Specdb::MsIr7061Specdb::MsIr7062Specdb::MsMs73101Specdb::MsMs73102Specdb::MsMs73103Specdb::MsMs132186Specdb::MsMs132187Specdb::MsMs132188Specdb::MsMs2661928Specdb::MsMs2661929Specdb::MsMs2661930Specdb::MsMs3020310Specdb::MsMs3020311Specdb::MsMs3020312HMDB36048#<Reference:0x0000555675639608>