| Phytochemical Name : 3-Methyl-2-butanone |
| PCNDIDOT0785 |
| Pubchem CID : 11251 |
| Molecular formula: C5H10O |
| Canonical SMILES : CC(C)C(=O)C |
Synonymes : 3-METHYL-2-BUTANONE|563-80-4|3-Methylbutan-2-one|Methyl isopropyl ketone|Isopropyl methyl ketone|2-Acetylpropane|2-Butanone, 3-methyl-|Methyl butanone-2|MIPK|3-Methylbutanone|Ketone, isopropyl methyl|2-Methyl-3-butanone|2-Acetyl propane|methylisopropylketone|Methylbutanone (VAN)|Caswell No. 555A|NSC 9379|methylisopropyl ketone|3-methyl-butan-2-one|EINECS 209-264-3|UNII-V8DP6THY5O|UN2397|V8DP6THY5O|EPA Pesticide Chemical Code 044104|AI3-24194|DTXSID0022062|HSDB 7915|NSC-9379|EC 209-264-3|3-Methyl-2-butanone, 99%|DTXCID802062|CAS-563-80-4|methyl-isopropyl ketone|Methylbutanone|Metilisopropilcetona|isopropylmethylketone|3 - methylbutanone|MFCD00008919|methyl isopropylketone|3-methyl 2-butanal|3-Metyl-2-butanon|3-methyl 2-butanone|3-methyl-2 butanone|2-Methylbutan-3-one|3-methylbutane-2-one|isopropyl-methyl ketone|iso-C3H7COCH3|2-methyl-butan-3-one|3-methyl butan-2-one|MBO (CHRIS Code)|2-butanona, 3-metil-|Isobutyl-1-methyl ketone|CHEMBL3183920|METHYL-2-BUTANONE, 3-|WLN: 1Y1&V1|NSC9379|CHEBI:179699|AMY11021|BCP21603|Tox21_201720|Tox21_302856|LMFA12000024|METHYL ISOPROPYL KETONE [MI]|NA2397|AKOS000119454|UN 2397|Metylisopropylketon (3-Metyl-2-butanon)|NCGC00249104-01|NCGC00256399-01|NCGC00259269-01|3-Methyl-2-butanone, analytical standard|BP-20359|LS-46827|3-Methyl-2-butanone Methyl-isopropyl ketone|FT-0616059|FT-0659813|M0173|EN300-20390|E80427|Isopropyl methyl ketone;Methyl isopropyl ketone|Methyl isopropyl ketone; (3-Methyl-2-butanone)|3-Methyl-2-butanone, puriss., >=98.5% (GC)|A831026|3-Methylbutan-2-one [UN2397] [Flammable liquid]|J-512893|Q2747560|2-BUTANONE,3-METHYL METHYL ISOPROPYL KETONE|3-Methylbutan-2-one [UN2397] [Flammable liquid]|F1908-0070 |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 1.600 |
| Log Po/w (XLOGP3) : 0.840 |
| Log Po/w (WLOGP) : 1.230 |
| Log Po/w (MLOGP) : 1.010 |
| Log Po/w (SILICOS-IT) : 0.830 |
| Consensus Log Po/w : 1.100 |

