t-Butyl isobutyl ketone
2,2,5-trimethylhexan-3-one
Also Known As: 2,2,5-trimethylhexan-3-one|t-Butyl isobutyl ketone|isobutyl-tert.-butylketon|2,2,5-Trimethyl-3-hexanone|isobutyl tert-butyl ketone|3-Hexanone, 2,2,5-trimethyl-|3-Hexanone,2,2,5-trimethyl-|2,2,5-Trimethylhexane-3-one|2,2,5-Trimethyl-3-hexanone #|J1.834.147F
CAS: 17510-55-3
| Molecular Formula | C9H18O |
|---|---|
| Molecular Weight | 142.13577 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.13577 |
| Monoisotopic Mass | 142.13577 |
| Heavy Atoms | 10 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 17510-55-3 |
|---|---|
| SMILES | CC(C)CC(=O)C(C)(C)C |
| InChIKey | LXFHNTKYSUCXRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Heterocyclic Building Blocks (3 patents)
Lubricants & Additives (1 patents)
Organic Building Blocks (19 patents)
Peptides & Amino Acids (3 patents)
Pharmaceutical Intermediates (3 patents)
Plastic Additives (5 patents)
Polymer Intermediates (5 patents)
Specialty Chemicals (4 patents)
Surfactants & Detergents (2 patents)
Product Overview
t-Butyl isobutyl ketone (CAS 17510-55-3), with molecular formula C9H18O and molecular weight 142.13577 g/mol. IUPAC: 2,2,5-trimethylhexan-3-one.
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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