1.02010-04-08 22:11:34 UTC2019-11-26 03:11:01 UTCFDB0149527-Acetoxy-7-methyl-3-methylene-1-octene7-acetoxy-7-methyl-3-methylene-1-octene is a member of the class of compounds known as carboxylic acid esters. Carboxylic acid esters 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). 7-acetoxy-7-methyl-3-methylene-1-octene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 7-acetoxy-7-methyl-3-methylene-1-octene is a bergamot, citrus, and floral tasting compound found in pot marjoram, which makes 7-acetoxy-7-methyl-3-methylene-1-octene a potential biomarker for the consumption of this food product. 2-Acetoxy-2-methyl-6-methylene-7-octene2-Methyl-6-methylene-7-octen-2-yl acetate3-Methylene-7-methyl-1-octen-7-yl acetate7-Acetoxy-7-methyl-3-methylene-1-octene7-Octen-2-ol, 2-methyl-6-methylene-, 2-acetate7-Octen-2-ol, 2-methyl-6-methylene-, acetateAcetic acid, 2-methyl-6-methylene-7-octen-2-yl esterAcetic acid, myrcenyl esterMyrcenyl acetateNeobergamatePseudolinalyl acetateC12H20O2196.286196.1463298842-methyl-6-methylideneoct-7-en-2-yl acetate2-methyl-6-methylideneoct-7-en-2-yl acetate1118-39-4CC(=O)OC(C)(C)CCCC(=C)C=CInChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3DCXXKSXLKWAZNO-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 compoundlogp3.76logs-3.69solubility3.99e-02 g/llogp2.91pka_strongest_basic-7iupac2-methyl-6-methylideneoct-7-en-2-yl acetateaverage_mass196.286mono_mass196.146329884smilesCC(=O)OC(C)(C)CCCC(=C)C=CformulaC12H20O2inchiInChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3inchikeyDCXXKSXLKWAZNO-UHFFFAOYSA-Npolar_surface_area26.3refractivity58.52polarizability23.31rotatable_bond_count7acceptor_count1donor_count0physiological_charge0formal_charge0Specdb::MsMs47928Specdb::MsMs47929Specdb::MsMs47930Specdb::MsMs147060Specdb::MsMs147061Specdb::MsMs147062Specdb::MsMs3605764Specdb::MsMs3605765Specdb::MsMs3605766Specdb::MsMs3605767Specdb::MsMs3605768Specdb::MsMs3605769Pot marjoramType 1specificOriganum onites4524160.00.00.0mg/100 gbergamotcitrusflorallavendernutmegwoody