1.0 2011-09-21 00:10:06 UTC 2015-10-09 22:29:18 UTC FDB022207 alpha-Hydroxyisobutyric acid Alpha-Hydroxyisobutyric acid is a metabolite of methyl tert-butyl ether (MTBE). MTBE may be obtained through environmental exposure. MTBE is rapidly eliminated from the body, mainly through expired air as the unchanged compound. MTBE is to some extent metabolised to t-butyl alcohol (TBA) and formaldehyde and oxidised to 2-methyl-1,2-propanediol and a-hydroxy isobuturic acid. Alpha-Hydroxyisobutyric acid has been used as an arial bactericide. [HMDB] (CH3)2COHCOOH 2-Hydroxy-2-methylpropanoate 2-Hydroxy-2-methylpropanoic acid 2-Hydroxy-2-methylpropionate 2-Hydroxy-2-methylpropionic acid 2-Hydroxy-2-methylpropionsaeure 2-Hydroxyisobutyrate 2-Hydroxyisobutyric acid 2-Methyl-2-hydroxypropanoate 2-Methyl-2-hydroxypropanoic acid 2-Methyl-2-hydroxypropionsaeure 2-Methyllactate 2-Methyllactic acid a-HIB a-Hydroxy-a-methylpropanoate a-Hydroxy-a-methylpropanoic acid a-Hydroxy-a-methylpropionate a-Hydroxy-a-methylpropionic acid a-Hydroxyisobutanoate a-Hydroxyisobutanoic acid a-Hydroxyisobutyrate a-Hydroxyisobutyric acid Acetonate Acetonic acid Acide 2-hydroxy-2-methylpropanoique Acido 2-hidroxi-2-metilpropionico alpha-HIB alpha-Hydroxy-alpha-methylpropanoate alpha-Hydroxy-alpha-methylpropanoic acid alpha-Hydroxy-alpha-methylpropionate alpha-Hydroxy-alpha-methylpropionic acid alpha-hydroxyisobutanoate alpha-hydroxyisobutanoic acid alpha-Hydroxyisobutyrate alpha-Hydroxyisobutyric acid HIBA Hydroxydimethylacetate Hydroxydimethylacetic acid Hydroxyisobutyrate L-2-Methyllactate L-2-Methyllactic acid α-hydroxy-α-methylpropanoate α-hydroxy-α-methylpropanoic acid α-hydroxy-α-methylpropionate α-hydroxy-α-methylpropionic acid α-hydroxyisobutanoate α-hydroxyisobutanoic acid α-hydroxyisobutyrate α-hydroxyisobutyric acid C4H8O3 104.1045 104.047344122 2-hydroxy-2-methylpropanoic acid acetonate 594-61-6 CC(C)(O)C(O)=O InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) BWLBGMIXKSTLSX-UHFFFAOYSA-N belongs to the class of organic compounds known as alpha hydroxy acids and derivatives. These are organic compounds containing a carboxylic acid substituted with a hydroxyl group on the adjacent carbon. Alpha hydroxy acids and derivatives Organic compounds Organic acids and derivatives Hydroxy acids and derivatives Alpha hydroxy acids and derivatives Aliphatic acyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Tertiary alcohols Alcohol Aliphatic acyclic compound Alpha-hydroxy acid Carbonyl group Carboxylic acid Carboxylic acid derivative Hydrocarbon derivative Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Tertiary alcohol 2-hydroxy monocarboxylic acid Hydroxy fatty acids Solid logp -0.37 ALOGPS logs 0.56 ALOGPS solubility 3.78e+02 g/l ALOGPS logp -0.039 ChemAxon pka_strongest_acidic 3.95 ChemAxon pka_strongest_basic -3.7 ChemAxon iupac 2-hydroxy-2-methylpropanoic acid ChemAxon average_mass 104.1045 ChemAxon mono_mass 104.047344122 ChemAxon smiles CC(C)(O)C(O)=O ChemAxon formula C4H8O3 ChemAxon inchi InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6) ChemAxon inchikey BWLBGMIXKSTLSX-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 23.55 ChemAxon polarizability 9.87 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::NmrTwoD 1449 Specdb::MsIr 796 Specdb::MsIr 797 Specdb::MsIr 798 Specdb::CMs 628 Specdb::CMs 19318 Specdb::CMs 27179 Specdb::CMs 30759 Specdb::CMs 37726 Specdb::CMs 163427 Specdb::CMs 1072938 Specdb::CMs 1072939 Specdb::CMs 1072941 Specdb::CMs 1072942 Specdb::CMs 1072944 Specdb::MsMs 1023 Specdb::MsMs 1024 Specdb::MsMs 1025 Specdb::MsMs 4550 Specdb::MsMs 4551 Specdb::MsMs 4552 Specdb::MsMs 4553 Specdb::MsMs 4554 Specdb::MsMs 4555 Specdb::MsMs 4557 Specdb::MsMs 4558 Specdb::MsMs 4559 Specdb::MsMs 11003 Specdb::MsMs 11004 Specdb::MsMs 11005 Specdb::MsMs 17675 Specdb::MsMs 17676 Specdb::MsMs 17677 Specdb::MsMs 437821 Specdb::MsMs 437822 Specdb::MsMs 437823 Specdb::MsMs 437824 Specdb::MsMs 437825 Specdb::MsMs 439029 Specdb::MsMs 439030 Specdb::NmrOneD 1264 Specdb::NmrOneD 1503 Specdb::NmrOneD 7522 Specdb::NmrOneD 7523 Specdb::NmrOneD 7524 Specdb::NmrOneD 7525 Specdb::NmrOneD 7526 Specdb::NmrOneD 7527 Specdb::NmrOneD 7528 Specdb::NmrOneD 7529 Specdb::NmrOneD 7530 Specdb::NmrOneD 7531 Specdb::NmrOneD 7532 Specdb::NmrOneD 7533 Specdb::NmrOneD 7534 Specdb::NmrOneD 7535 Specdb::NmrOneD 7536 Specdb::NmrOneD 7537 Specdb::NmrOneD 7538 Specdb::NmrOneD 7539 Specdb::NmrOneD 7540 Specdb::NmrOneD 7541 Specdb::NmrOneD 166509 HMDB00729 #<Reference:0x000055ce317f67f0> #<Reference:0x000055ce317f6638> #<Reference:0x000055ce317f6480> #<Reference:0x000055ce317f62c8>