HuagongsheHuagongshe Chemistry Print Report · For research reference only
Carbonic acid, bis(1,1-dimethylethyl) ester
Carbonic acid, bis(1,1-dimethylethyl) ester
Identifiers & Physical Properties
| CAS No. | 34619-03-9 |
|---|---|
| Molecular formula | C9H18O3 |
| Average molar mass | 174.24 g/mol |
| Monoisotopic mass | 174.12559443 g/mol |
| SMILES | CC(C)(C)OC(=O)OC(C)(C)C |
| InChIKey | ODCCJTMPMUFERV-UHFFFAOYSA-N |
| PubChem CID | 10219638 |
| EC No. | 609-007-9 |
| DTXSID | DTXSID40436864 |
Chemical & Physical Properties
| XLogP | 2.5 |
|---|---|
| Topological polar surface area | 35.5 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 4 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 142 |
| Melting point | 40°C |
| Boiling point | 245.22°C (rough estimate) |
| Density | 1.0069 (rough estimate) |
| Refractive index | 1.4249 (estimate) |
| Storage conditions | 2-8°C |
| Appearance | White to off-white Solid |
Safety & Regulations
| GHS classification | Not ClassifiedReported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Not Classified |
Applications & Uses
Uses
Di-tert-butyl carbonate is used in the production of 1-Tert-butyl 4-ethyl 1H-pyrazole-1,4-dicarboxylate (B695375).