1.0 2010-04-08 22:11:35 UTC 2015-07-20 23:13:18 UTC FDB014982 3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol Physiol. cooling agent used in food and beverages (menthyl)oxypropanediol 1,3-Menthoxypropane-1,2-diol, L- 3-((L-Menthyl)oxy)propane-1,2-diol 3-L-(p-Menthane-3-yloxy)-1,2-propanediol 3-L-Menthoxypropane-1,2-diol 3-Menthyloxy-1,2-propanediol L-1,3-Menthoxypropane-1,2-diol Menthoxypropanediol C13H26O3 230.3437 230.188194698 3-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}propane-1,2-diol menthoxypropanediol 87061-04-9 CC(C)C1CCC(C)CC1OCC(O)CO InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3 MDVYIGJINBYKOM-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 1,2-diols Dialkyl ethers Glycerol ethers Hydrocarbon derivatives Monocyclic monoterpenoids Primary alcohols Secondary alcohols 1,2-diol Alcohol Aliphatic homomonocyclic compound Dialkyl ether Ether Glycerol ether Glycerolipid Hydrocarbon derivative Monocyclic monoterpenoid Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Primary alcohol Secondary alcohol logp 2.24 ALOGPS logs -2.37 ALOGPS solubility 9.72e-01 g/l ALOGPS logp 1.99 ChemAxon pka_strongest_acidic 13.64 ChemAxon pka_strongest_basic -3 ChemAxon iupac 3-{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}propane-1,2-diol ChemAxon average_mass 230.3437 ChemAxon mono_mass 230.188194698 ChemAxon smiles CC(C)C1CCC(C)CC1OCC(O)CO ChemAxon formula C13H26O3 ChemAxon inchi InChI=1S/C13H26O3/c1-9(2)12-5-4-10(3)6-13(12)16-8-11(15)7-14/h9-15H,4-8H2,1-3H3 ChemAxon inchikey MDVYIGJINBYKOM-UHFFFAOYSA-N ChemAxon polar_surface_area 49.69 ChemAxon refractivity 64.45 ChemAxon polarizability 27.6 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 44385 Specdb::MsMs 44386 Specdb::MsMs 44387 Specdb::MsMs 112980 Specdb::MsMs 112981 Specdb::MsMs 112982 Specdb::MsMs 2732667 Specdb::MsMs 2732668 Specdb::MsMs 2732669 Specdb::MsMs 2976860 Specdb::MsMs 2976861 Specdb::MsMs 2976862 Specdb::CMs 22510 Specdb::CMs 44742 Specdb::CMs 133442 Specdb::CMs 141176 HMDB36133 #<Reference:0x000055ce320aac48> minty vanilla