| 2D Structure | |
| CID | 31256 |
| Target | CYP2C19 |
| IUPAC Name | 4-hydroxy-4-methylpentan-2-one |
| InChI | InChI=1S/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H3 |
| InChI Key | SWXVUIWOUIDPGS-UHFFFAOYSA-N |
| Canonical SMILES | CC(=O)CC(C)(C)O |
| Isomeric SMILES | CC(=O)CC(C)(C)O |
| Molecular Formula | C6H12O2 |
| Molecular Weight | 116.16 |
| synonyms | ['Diacetone alcohol', '4-HYDROXY-4-METHYL-2-PENTANONE', '123-42-2', '4-Hydroxy-4-methylpentan-2-one', 'Diacetonalkohol', 'Diketone alcohol', 'Diacetonalcohol', 'Diacetone', 'Pyranton', 'Tyranton', '2-Pentanone, 4-hydroxy-4-methyl-', 'Acetonyldimethylcarbinol', 'Diacetone-alcool', 'Pyranton A', 'Diacetonalcool', '2-Methyl-2-pentanol-4-one', 'Diacetonyl alcohol', '4-Hydroxy-2-keto-4-methylpentane', '4-Idrossi-4-metil-pentan-2-one', 'Dimethyl acetonyl carbinol', '4-Hydroxy-4-methylpentanone-2', 'Caswell No. 280', '2-Hydroxy-2-methyl-4-pentanone', '4-Hydroxy-4-methyl-pentan-2-on', '4-Hydroxy-4-methyl pentan-2-one', 'NSC 9005', 'CCRIS 6177', 'HSDB 1152', 'UNII-Q7WP157PTD', 'EINECS 204-626-7', 'Q7WP157PTD', 'EPA Pesticide Chemical Code 033901', 'BRN 1740440', 'DTXSID6024917', 'CHEBI:55381', 'AI3-00045', 'NSC-9005', 'DTXCID304917', 'EC 204-626-7', '4-01-00-04023 (Beilstein Handbook Reference)', 'DIACETONE ALCOHOL, (FLAMMABLE LIQUID LABEL)', 'DIACETONE ALCOHOL, (COMBUSTIBLE LIQUID LABEL)', '204-626-7', 'diacetone alcohol (acgih:osha)', 'Pyraton', '4-Hydroxy-4-methylpentanone', '4-Methyl-2-pentanon-4-ol', '4-Methyl-4-hydroxy-2-pentanone', '(CH3)2C(OH)CH2C(O)CH3', 'Diacetonealcool', 'Diacetonalcohol [Dutch]', 'Diacetonalcool [Italian]', 'Diacetonalkohol [German]', 'Diacetone-alcool [French]', 'CAS-123-42-2', 'Pentanone, 4-hydroxy-4-methyl-', 'UN1148', '4-Idrossi-4-metil-pentan-2-one [Italian]', '4-hydroxy-4-methyl-pentan-2-one', '4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]', 'MFCD00004471', 'Diacetonalkohol(german)', 'Diacetone alcohol [UN1148] [Flammable liquid]', 'SCHEMBL28494', '2-Methyl-3-pentanol-4-one', 'Hydroxy-4-methyl-2-pentanone', 'DIACETONE ALCOHOL [MI]', '4-hydroxy4-methyl-2-pentanone', 'CHEMBL3182048', 'NSC9005', '4-methyl-4-oxidanyl-pentan-2-one', 'AAA12342', 'Tox21_201266', 'Tox21_303479', 'BBL027463', 'LMFA12000071', 'STL146354', 'AKOS005721167', 'UN 1148', '4-Hydroxy-4-methyl-2-pentanone, 99%', 'WLN: QX1 & 1 & 1V1', 'NCGC00249012-01', 'NCGC00257419-01', 'NCGC00258818-01', 'VS-08543', 'DB-062159', 'H0272', 'NS00001204', 'EN300-19341', '4-HYDROXY-4-METHYL-2-PENTANONE [HSDB]', '4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH)', 'A805073', 'Diacetone alcohol [UN1148] [Flammable liquid]', 'Q421486', '4-Hydroxy-4-methyl-2-pentanone, analytical standard', 'F0001-0366', 'InChI=1/C6H12O2/c1-5(7)4-6(2,3)8/h8H,4H2,1-3H', 'Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material'] |
From Pubchem