HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate
methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate · 1,4-Dioxaspiro[4.5]decane-8-carboxylic Acid Methyl Ester
![Methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate molecular structure](/img/chemical/10845708.png)
Identifiers & Physical Properties
| CAS No. | 26845-47-6 |
|---|---|
| Molecular formula | C10H16O4 |
| Average molar mass | 200.23 g/mol |
| Monoisotopic mass | 200.10485899 g/mol |
| SMILES | COC(=O)C1CCC2(CC1)OCCO2 |
| InChIKey | XUTIURCKMWHHLX-UHFFFAOYSA-N |
| PubChem CID | 10845708 |
| EC No. | 869-783-1 |
| DTXSID | DTXSID00445699 |
Chemical & Physical Properties
| XLogP | 0.7 |
|---|---|
| Topological polar surface area | 44.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 210 |
| Boiling point | 96-100 °C |
| Density | 1.15±0.1 g/cm3(Predicted) |
| Storage conditions | Inert atmosphere,Room Temperature |
| Physical state | clear liquid |
| Color | Colorless to Almost colorless |
| CAS DataBase Reference | 26845-47-6 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H335-H319 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
| Customs code | 2932.99.9090 |
Safety & Regulations
| GHS classification | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Customs code | 2932.99.9090 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H335-H319 |
| GHS precautionary statements | P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362 |
Applications & Uses
Uses
methyl 1,4-dioxaspiro[4.5]decane-8-carboxylate is a reagnet used in the preparation of pharmaceutical compounds such as high affinity H3 receptor agonists and reverse hydroxamate-based selective TACE inhibitors.