3,3-Dimethyl-2-pentanone
3,3-dimethylpentan-2-one
Also Known As: 3,3-Dimethylpentan-2-one|3,3-Dimethyl-2-pentanone|6-Dehydroestrone|2-Pentanone, 3,3-dimethyl-|tert-amyl methyl ketone|Methyl tert-pentyl ketone|C2H5C(CH3)2COCH3|Methyl-tert.-amyl-keton|3,3-dimethyl-2-pentanon|2-Pentanone,3,3-dimethyl-|0596AB|FS-5235|J1.842.046E|669D049
CAS: 20669-04-9
| Molecular Formula | C7H14O |
|---|---|
| Molecular Weight | 114.10446 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.10446 |
| Monoisotopic Mass | 114.10446 |
| Heavy Atoms | 8 |
| Complexity | 92.0 |
Chemical Identifiers
| CAS Number | 20669-04-9 |
|---|---|
| SMILES | CCC(C)(C)C(=O)C |
| InChIKey | QSHJLBQLQVSEFV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Agrochemicals (2 patents)
Coatings & Adhesives (4 patents)
Heterocyclic Building Blocks (28 patents)
Organic Building Blocks (42 patents)
Organometallic Reagents (1 patents)
Peptides & Amino Acids (5 patents)
Pharmaceutical Intermediates (11 patents)
Photographic Chemicals (4 patents)
Plastic Additives (4 patents)
Polymer Intermediates (17 patents)
Specialty Chemicals (4 patents)
Product Overview
3,3-Dimethyl-2-pentanone (CAS 20669-04-9), with molecular formula C7H14O and molecular weight 114.10446 g/mol. IUPAC: 3,3-dimethylpentan-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 →
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