3-Butyl-2-heptanone
3-butylheptan-2-one
Also Known As: 3-butylheptan-2-one|3-BUTYL-2-HEPTANONE|dibutylacetone|2-Heptanone, 3-butyl-|3-butyl-heptan-2-one|3-(But-1-yl)heptan-2-one|2-Heptanone, 3-butyl-,|1,1-Di(but-1-yl)acetone|J1.024.356D|653-830-6
CAS: 997-69-3
| Molecular Formula | CCCCC(CCCC)C(=O)C |
|---|---|
| Molecular Weight | 170.16707 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 170.16707 |
| Monoisotopic Mass | 170.16707 |
| Heavy Atoms | 12 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 997-69-3 |
|---|---|
| SMILES | CCCCC(CCCC)C(=O)C |
| InChIKey | JTBWYOMMEUSFLO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Dyes & Pigments (1 patents)
Heterocyclic Building Blocks (2 patents)
Product Overview
3-Butyl-2-heptanone (CAS 997-69-3), with molecular formula CCCCC(CCCC)C(=O)C and molecular weight 170.16707 g/mol. IUPAC: 3-butylheptan-2-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 →
3-Butyl-2-heptanone is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »