2,2,6-Trimethyl-4-heptanone
2,2,6-trimethylheptan-4-one
Also Known As: Neopentyl isobutyl ketone|2,2,6-trimethylheptan-4-one|2,2,6-Trimethyl-4-heptanone|2,2,6-trimethyl-heptan-4-one|4-Heptanone,2,2,6-trimethyl-|2,2,6-Trimethyl-4-heptanone #|J3.741.039J
CAS: 40239-19-8
| Molecular Formula | C10H20O |
|---|---|
| Molecular Weight | 156.15141 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 156.15141 |
| Monoisotopic Mass | 156.15141 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 40239-19-8 |
|---|---|
| SMILES | CC(C)CC(=O)CC(C)(C)C |
| InChIKey | YTMAMXJFGGHEGY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Peptides & Amino Acids (24 patents)
Pharmaceutical Intermediates (12 patents)
Product Overview
2,2,6-Trimethyl-4-heptanone (CAS 40239-19-8), with molecular formula C10H20O and molecular weight 156.15141 g/mol. IUPAC: 2,2,6-trimethylheptan-4-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 →
2,2,6-Trimethyl-4-heptanone is a custom synthesis product. We offer services from milligram to kilogram scale.
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