Heptanoic acid, 2,2-dimethyl-, methyl ester
methyl 2,2-dimethylheptanoate
Also Known As: methyl 2,2-dimethylheptanoate|methyl 2,2-dimethyl heptanoate|heptanoic acid, 2,2-dimethyl-, methyl ester|2,2-Dimethylheptanoic acid methyl ester|Heptanoic acid, 2,2-dimethyl, methyl ester|J3.744.490A
CAS: 813-70-7
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.14633 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 172.14633 |
| Monoisotopic Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 813-70-7 |
|---|---|
| SMILES | CCCCCC(C)(C)C(=O)OC |
| InChIKey | TWDSPUJFEJFHTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Coatings & Adhesives (2 patents)
Heterocyclic Building Blocks (2 patents)
Organic Building Blocks (32 patents)
Organometallic Reagents (1 patents)
Pharmaceutical Intermediates (4 patents)
Specialty Chemicals (1 patents)
Surfactants & Detergents (2 patents)
Product Overview
Heptanoic acid, 2,2-dimethyl-, methyl ester (CAS 813-70-7), with molecular formula C10H20O2 and molecular weight 172.14633 g/mol. IUPAC: methyl 2,2-dimethylheptanoate.
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.
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