HuagongsheHuagongshe Chemistry Print Report · For research reference only
Dimethyl 2-(2-methoxyphenoxy)malonate
2-MethoxyphenoxyMalonate · Dimethyl (o-Methoxyphenoxy)malonate · DIMETHYL (2-METHOXYPHENOXY)MALONATE · Dimethyl-2-(2-methoxyphenoxy)malonate · 1,3-diMethyl 2-(2-Methoxyphenoxy)propanedioate · 2-(2-Methoxyphenoxy)malonic acid dimethyl ester · (2-Methoxyphenoxy)-propanedioic Acid Dimethyl Ester · 2-methoxy-2-phenoxypropanedioic acid dimethyl ester
Identifiers & Physical Properties
| CAS No. | 150726-89-9 |
|---|---|
| Molecular formula | C12H14O6 |
| Average molar mass | 254.24 g/mol |
| Monoisotopic mass | 254.07903817 g/mol |
| SMILES | COC(=O)C(Oc1ccccc1OC)C(=O)OC |
| InChIKey | SBUXKADXTZOBJV-UHFFFAOYSA-N |
| PubChem CID | 12967085 |
| EC No. | 604-747-9 |
| DTXSID | DTXSID80514170 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 71.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 7 |
| Heavy atoms | 18 |
| Formal charge | 0 |
| Complexity | 274 |
| Boiling point | 320.5±27.0 °C(Predicted) |
| Density | 1.206±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Dichloromethane, Methanol |
| Physical state | Solid |
| pKa (acidity coefficient) | 12.17±0.59(Predicted) |
| Color | White |
| InChI | InChI=1S/C12H14O6/c1-15-8-6-4-5-7-9(8)18-10(11(13)16-2)12(14)17-3/h4-7,10H,1-3H3 |
| InChIKey | SBUXKADXTZOBJV-UHFFFAOYSA-N |
| SMILES | C(OC)(=O)C(OC1=CC=CC=C1OC)C(OC)=O |
| GHS pictogram | GHS09 |
| Signal word | Warning |
| GHS hazard statements | H410 |
| GHS precautionary statements | P501-P273-P391 |
Safety & Regulations
| GHS classification | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (33.3%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (33.3%) |
| Signal word | Warning |
| GHS pictogram | GHS09 |
| GHS hazard statements | H410 |
| GHS precautionary statements | P501-P273-P391 |
Applications & Uses
Uses
Dimethyl 2-Methoxyphenoxymalonate (cas# 150726-89-9) is a compound useful in organic synthesis.