1.0 2010-04-08 22:08:48 UTC 2018-05-28 23:25:26 UTC FDB009784 L-Menthyl (R,S)-3-hydroxybutyrate It is used as a food additive . 3-(2-carboxyethyl)-2-methylbenzothiazolium Bromide 3-(2-Carboxyethyl)-2-methylbenzothiozolium bromide Benzothiazolium, 3-(2-carboxyethyl)-2-methyl-, bromide C14H26O3 242.3544 242.188194698 (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 3-hydroxybutanoate (1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 3-hydroxybutanoate 108766-16-1 CC(O)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C InChI=1S/C14H26O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1 XSJPRWBZLUYOOI-IBSWDFHHSA-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 Beta hydroxy acids and derivatives Carbonyl compounds Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides Secondary alcohols Alcohol Aliphatic homomonocyclic compound Beta-hydroxy acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Hydroxy acid Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid Secondary alcohol logp 2.98 ALOGPS logs -3.22 ALOGPS solubility 1.44e-01 g/l ALOGPS logp 2.94 ChemAxon pka_strongest_acidic 15.41 ChemAxon pka_strongest_basic -2.6 ChemAxon iupac (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 3-hydroxybutanoate ChemAxon average_mass 242.3544 ChemAxon mono_mass 242.188194698 ChemAxon smiles CC(O)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C ChemAxon formula C14H26O3 ChemAxon inchi InChI=1S/C14H26O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-13,15H,5-8H2,1-4H3/t10-,11?,12+,13-/m1/s1 ChemAxon inchikey XSJPRWBZLUYOOI-IBSWDFHHSA-N ChemAxon polar_surface_area 46.53 ChemAxon refractivity 67.42 ChemAxon polarizability 28.64 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23768 Specdb::CMs 42820 Specdb::CMs 165182 Specdb::MsMs 140976 Specdb::MsMs 140977 Specdb::MsMs 140978 Specdb::MsMs 2618255 Specdb::MsMs 2618256 Specdb::MsMs 2618257 Specdb::MsMs 80172 Specdb::MsMs 80173 Specdb::MsMs 80174 Specdb::MsMs 2317883 Specdb::MsMs 2317884 Specdb::MsMs 2317885 HMDB32370 #<Reference:0x000055ac3fa83680> cool minty