1.0 2010-04-08 22:11:34 UTC 2025-11-19 00:51:12 UTC FDB014952 7-Acetoxy-7-methyl-3-methylene-1-octene 7-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-octene 2-Methyl-6-methylene-7-octen-2-yl acetate 3-Methylene-7-methyl-1-octen-7-yl acetate 7-Acetoxy-7-methyl-3-methylene-1-octene 7-Octen-2-ol, 2-methyl-6-methylene-, 2-acetate 7-Octen-2-ol, 2-methyl-6-methylene-, acetate Acetic acid, 2-methyl-6-methylene-7-octen-2-yl ester Acetic acid, myrcenyl ester Myrcenyl acetate Neobergamate Pseudolinalyl acetate C12H20O2 196.286 196.146329884 2-methyl-6-methylideneoct-7-en-2-yl acetate 2-methyl-6-methylideneoct-7-en-2-yl acetate 1118-39-4 CC(=O)OC(C)(C)CCCC(=C)C=C InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3 DCXXKSXLKWAZNO-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 esters Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Carboxylic acid derivatives Aliphatic acyclic compounds Carbonyl compounds Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Aliphatic acyclic compound Carbonyl group Carboxylic acid ester Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound logp 3.76 ALOGPS logs -3.69 ALOGPS solubility 3.99e-02 g/l ALOGPS logp 2.91 ChemAxon pka_strongest_basic -7 ChemAxon iupac 2-methyl-6-methylideneoct-7-en-2-yl acetate ChemAxon average_mass 196.286 ChemAxon mono_mass 196.146329884 ChemAxon smiles CC(=O)OC(C)(C)CCCC(=C)C=C ChemAxon formula C12H20O2 ChemAxon inchi InChI=1S/C12H20O2/c1-6-10(2)8-7-9-12(4,5)14-11(3)13/h6H,1-2,7-9H2,3-5H3 ChemAxon inchikey DCXXKSXLKWAZNO-UHFFFAOYSA-N ChemAxon polar_surface_area 26.3 ChemAxon refractivity 58.52 ChemAxon polarizability 23.31 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 47928 Specdb::MsMs 47929 Specdb::MsMs 47930 Specdb::MsMs 147060 Specdb::MsMs 147061 Specdb::MsMs 147062 Specdb::MsMs 3605764 Specdb::MsMs 3605765 Specdb::MsMs 3605766 Specdb::MsMs 3605767 Specdb::MsMs 3605768 Specdb::MsMs 3605769 Pot marjoram Type 1 specific Origanum onites 452416 0.0 0.0 0.0 mg/100 g bergamot citrus floral lavender nutmeg woody