1.02010-04-08 22:08:48 UTC2018-05-28 23:25:26 UTCFDB009784L-Menthyl (R,S)-3-hydroxybutyrateIt is used as a food additive .3-(2-carboxyethyl)-2-methylbenzothiazolium Bromide3-(2-Carboxyethyl)-2-methylbenzothiozolium bromideBenzothiazolium, 3-(2-carboxyethyl)-2-methyl-, bromideC14H26O3242.3544242.188194698(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 3-hydroxybutanoate(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl 3-hydroxybutanoate108766-16-1CC(O)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)CInChI=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/s1XSJPRWBZLUYOOI-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 monoterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsMonoterpenoidsAliphatic homomonocyclic compoundsBeta hydroxy acids and derivativesCarbonyl compoundsCarboxylic acid estersFatty acid estersHydrocarbon derivativesMonocarboxylic acids and derivativesMonocyclic monoterpenoidsOrganic oxidesSecondary alcoholsAlcoholAliphatic homomonocyclic compoundBeta-hydroxy acidCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterFatty acid esterFatty acylHydrocarbon derivativeHydroxy acidMonocarboxylic acid or derivativesMonocyclic monoterpenoidOrganic oxideOrganic oxygen compoundOrganooxygen compoundP-menthane monoterpenoidSecondary alcohollogp2.98logs-3.22solubility1.44e-01 g/llogp2.94pka_strongest_acidic15.41pka_strongest_basic-2.6iupac(1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 3-hydroxybutanoateaverage_mass242.3544mono_mass242.188194698smilesCC(O)CC(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)CformulaC14H26O3inchiInChI=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/s1inchikeyXSJPRWBZLUYOOI-IBSWDFHHSA-Npolar_surface_area46.53refractivity67.42polarizability28.64rotatable_bond_count5acceptor_count2donor_count1physiological_charge0formal_charge0Specdb::CMs23768Specdb::CMs42820Specdb::CMs165182Specdb::MsMs140976Specdb::MsMs140977Specdb::MsMs140978Specdb::MsMs2618255Specdb::MsMs2618256Specdb::MsMs2618257Specdb::MsMs80172Specdb::MsMs80173Specdb::MsMs80174Specdb::MsMs2317883Specdb::MsMs2317884Specdb::MsMs2317885HMDB32370#<Reference:0x0000555675e07b78>coolminty