2,5-Dimethylhexane-3,4-dione
2,5-dimethylhexane-3,4-dione
Also Known As: Biisobutyryl|2,5-dimethylhexane-3,4-dione|2,5-Dimethyl-3,4-hexanedione|bi-isobutyryl|3,4-Hexanedione, 2,5-dimethyl-|2,4-Hexanedione|3, 2,5-dimethyl-|864-994-5
CAS: 4388-87-8
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.09938 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Monoisotopic Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 4388-87-8 |
|---|---|
| SMILES | CC(C)C(=O)C(=O)C(C)C |
| InChIKey | BANWXFSXYBCSAT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Catalysts (3 patents)
Heterocyclic Building Blocks (83 patents)
Organic Building Blocks (23 patents)
Pharmaceutical Intermediates (35 patents)
Photographic Chemicals (4 patents)
Plastic Additives (15 patents)
Polymer Intermediates (16 patents)
Surfactants & Detergents (1 patents)
Product Overview
2,5-Dimethylhexane-3,4-dione (CAS 4388-87-8), with molecular formula C8H14O2 and molecular weight 142.09938 g/mol. IUPAC: 2,5-dimethylhexane-3,4-dione.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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