1.0 2010-04-08 22:08:48 UTC 2018-05-28 23:25:25 UTC FDB009783 L-Menthyl acetoacetate It is used as a food additive . Menthol acetoacetate Menthyl acetoacetate C14H24O3 240.3386 240.172544634 (1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl 3-oxobutanoate (1S,2R,5S)-2-isopropyl-5-methylcyclohexyl 3-oxobutanoate 59557-05-0 CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CC(C)=O InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m0/s1 QSVQIPXQOCAWHP-UHTWSYAYSA-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 1,3-dicarbonyl compounds Beta-keto acids and derivatives Carboxylic acid esters Fatty acid esters Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Monocyclic monoterpenoids Organic oxides 1,3-dicarbonyl compound Aliphatic homomonocyclic compound Beta-keto acid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Fatty acid ester Fatty acyl Hydrocarbon derivative Keto acid Ketone Monocarboxylic acid or derivatives Monocyclic monoterpenoid Organic oxide Organic oxygen compound Organooxygen compound P-menthane monoterpenoid logp 3.18 ALOGPS logs -3.79 ALOGPS solubility 3.93e-02 g/l ALOGPS logp 3.33 ChemAxon pka_strongest_acidic 9.64 ChemAxon pka_strongest_basic -7 ChemAxon iupac (1S,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl 3-oxobutanoate ChemAxon average_mass 240.3386 ChemAxon mono_mass 240.172544634 ChemAxon smiles CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)CC(C)=O ChemAxon formula C14H24O3 ChemAxon inchi InChI=1S/C14H24O3/c1-9(2)12-6-5-10(3)7-13(12)17-14(16)8-11(4)15/h9-10,12-13H,5-8H2,1-4H3/t10-,12+,13-/m0/s1 ChemAxon inchikey QSVQIPXQOCAWHP-UHTWSYAYSA-N ChemAxon polar_surface_area 43.37 ChemAxon refractivity 66.49 ChemAxon polarizability 27.47 ChemAxon rotatable_bond_count 5 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 16622 Specdb::CMs 133768 Specdb::CMs 141502 Specdb::MsMs 50160 Specdb::MsMs 50161 Specdb::MsMs 50162 Specdb::MsMs 124392 Specdb::MsMs 124393 Specdb::MsMs 124394 Specdb::MsMs 2412052 Specdb::MsMs 2412053 Specdb::MsMs 2412054 Specdb::MsMs 2550971 Specdb::MsMs 2550972 Specdb::MsMs 2550973 HMDB32369 #<Reference:0x000055ce335a2448> minty