1.0 2010-04-08 22:07:06 UTC 2019-11-26 03:01:05 UTC FDB006331 1-Ethoxy-p-menth-2-ene 1-ethoxy-p-menth-2-ene is a member of the class of compounds known as menthane monoterpenoids. Menthane monoterpenoids are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. 1-ethoxy-p-menth-2-ene is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 1-ethoxy-p-menth-2-ene can be found in sweet marjoram, which makes 1-ethoxy-p-menth-2-ene a potential biomarker for the consumption of this food product. C12H22O 182.3025 182.167065326 3-ethoxy-3-methyl-6-(propan-2-yl)cyclohex-1-ene 3-ethoxy-6-isopropyl-3-methylcyclohex-1-ene CCOC1(C)CCC(C=C1)C(C)C InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h6,8,10-11H,5,7,9H2,1-4H3 VVTMUJNOAJKUIU-UHFFFAOYSA-N belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes. Menthane monoterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Monoterpenoids Aliphatic homomonocyclic compounds Dialkyl ethers Hydrocarbon derivatives Monocyclic monoterpenoids Aliphatic homomonocyclic compound Dialkyl ether Ether Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 3.80 ALOGPS logs -4.63 ALOGPS solubility 4.25e-03 g/l ALOGPS logp 3.37 ChemAxon pka_strongest_basic -4.2 ChemAxon iupac 3-ethoxy-3-methyl-6-(propan-2-yl)cyclohex-1-ene ChemAxon average_mass 182.3025 ChemAxon mono_mass 182.167065326 ChemAxon smiles CCOC1(C)CCC(C=C1)C(C)C ChemAxon formula C12H22O ChemAxon inchi InChI=1S/C12H22O/c1-5-13-12(4)8-6-11(7-9-12)10(2)3/h6,8,10-11H,5,7,9H2,1-4H3 ChemAxon inchikey VVTMUJNOAJKUIU-UHFFFAOYSA-N ChemAxon polar_surface_area 9.23 ChemAxon refractivity 58.07 ChemAxon polarizability 22.95 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 62439 Specdb::MsMs 62440 Specdb::MsMs 62441 Specdb::MsMs 119163 Specdb::MsMs 119164 Specdb::MsMs 119165 Specdb::MsMs 3602810 Specdb::MsMs 3602811 Specdb::MsMs 3602812 Specdb::MsMs 3602813 Specdb::MsMs 3602814 Specdb::MsMs 3602815 Sweet marjoram Type 1 specific Origanum majorana 268884