PDND
Phytochemical Database for Neurological Disorders
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Phytochemical Name : Diacetone Alcohol
PCNDIDD0089
Pubchem CID : 31256
Molecular formula: C6H12O2

Molecular weight : 116.160

Canonical SMILES : CC(=O)CC(C)(C)O

Synonymes : Diacetone alcohol|4-HYDROXY-4-METHYL-2-PENTANONE|123-42-2|4-Hydroxy-4-methylpentan-2-one|Diacetonalkohol|Diketone alcohol|Diacetonalcohol|Diacetone|Pyranton|Tyranton|Acetonyldimethylcarbinol|Diacetone-alcool|Pyranton A|Diacetonalcool|2-Methyl-2-pentanol-4-one|Diacetonyl alcohol|4-Hydroxy-2-keto-4-methylpentane|2-Pentanone, 4-hydroxy-4-methyl-|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|Pyraton|Diacetonalcohol [Dutch]|Diacetonalcool [Italian]|Diacetonalkohol [German]|HSDB 1152|Diacetone-alcool [French]|UNII-Q7WP157PTD|EINECS 204-626-7|Q7WP157PTD|EPA Pesticide Chemical Code 033901|BRN 1740440|DTXSID6024917|CHEBI:55381|AI3-00045|Pentanone, 4-hydroxy-4-methyl-|NSC-9005|UN1148|4-Hydroxy-4-methylpentanone|4-Methyl-2-pentanon-4-ol|DTXCID304917|4-Idrossi-4-metil-pentan-2-one [Italian]|4-Methyl-4-hydroxy-2-pentanone|EC 204-626-7|4-01-00-04023 (Beilstein Handbook Reference)|4-Hydroxy-4-methyl-pentan-2-on [German, Dutch]|(CH3)2C(OH)CH2C(O)CH3|Diacetonealcool|Diacetone alcohol [UN1148] [Flammable liquid]|CAS-123-42-2|Diactone alcool|diacetone-alcohol|4-hydroxy-4-methyl-pentan-2-one|Diacetonalkohol(german)|DAA (CHRIS Code)|SCHEMBL28494|2-Methyl-3-pentanol-4-one|Hydroxy-4-methyl-2-pentanone|DIACETONE ALCOHOL [MI]|4-hydroxy4-methyl-2-pentanone|CHEMBL3182048|DIACETONE ALCOHOL [INCI]|4-hydroxyl-4-methyl-2-pentanone|NSC9005|2-pentanona, 4-hidroxi-4-metil-|4-methyl-4-oxidanyl-pentan-2-one|Tox21_201266|Tox21_303479|BBL027463|LMFA12000071|LS-681|MFCD00004471|NA1148|STL146354|AKOS005721167|UN 1148|4- hydroxy- 4- methylpentan- 2- one|4-Hydroxy-4-methyl-2-pentanone, 99%|WLN: QX1 & 1 & 1V1|NCGC00249012-01|NCGC00257419-01|NCGC00258818-01|VS-08543|FT-0624587|H0272|PENTAN-2-ONE, 4-HYDROXY-4-METHYL-|EN300-19341|4-HYDROXY-4-METHYL-2-PENTANONE [HSDB]|4-Hydroksy-4-metyl-2-pentanon (Diacetonalkohol)|4-Hydroxy-4-methyl-pentan-2-on(GERMAN, DUTCH)|A805073|Diacetone alcohol [UN1148] [Flammable liquid]|Q421486|4-Hydroxy-4-methyl-2-pentanone, analytical standard|DIACETONE ALCOHOL, (FLAMMABLE LIQUID LABEL)|J-004939|J-515493|Diacetone alcohol (4-Hydroxy-4-methyl- 2-pentanone)|DIACETONE ALCOHOL, (COMBUSTIBLE LIQUID LABEL)|F0001-0366|Hydroxy-4-methyl-2-pentanone, 4-; (Diacetone alcohol)|Diacetone Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material

Structure
3D structure 2D structure
31256
Predicted properties (NCBI Pubchem)

Physicochemical Properties