HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl (2R,3S)-3-(4-methoxyphenyl)-2-oxiranecarboxylate
METHYL (2R,3S)-2,3-E · Ticagrelor Impurity 241 · (S)-(-)-1,1''-BI-2-NAPHTHOL 99 E.E+% · methyl (2R,3S)-3-(4-methoxyphenyl)glycidate · *Halothane Impurity 3 (Halothane EP Impurity C) · (-)-(2R,3S)-2,3-Epoxy-3-(4methoxyphenyl)propronate · (-)-(2R,3S)-2,2-Epoxy-3-(4-methoxyphenyl)propionate · (2R,3S)-3-(4-Methoxyphenyl)glycidic acid methyl ester
Identifiers & Physical Properties
| CAS No. | 105560-93-8 |
|---|---|
| Molecular formula | C11H12O4 |
| Average molar mass | 208.21 g/mol |
| Monoisotopic mass | 208.07355886 g/mol |
| SMILES | COC(=O)[C@@H]1O[C@H]1c1ccc(OC)cc1 |
| InChIKey | CVZUMGUZDAWOGA-VHSXEESVSA-N |
| PubChem CID | 158607 |
| EC No. | 404-130-2 |
| DTXSID | DTXSID701365294 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 48.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 4 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 233 |
| Melting point | 87-88 °C |
| Boiling point | 297.7±40.0 °C(Predicted) |
| Density | 1.224 |
| CAS DataBase Reference | 105560-93-8(CAS DataBase Reference) |
| EWG's Food Scores | 1-2 |
| FDA UNII | D8MQ7L5PJ2 |
| GHS pictogram | GHS05,GHS07 |
| Signal word | Danger |
| GHS hazard statements | H317-H318-H412 |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P273-P501 |
| Hazard symbols | Xi |
| Risk statements (R) | 41-43-52/53 |
| Safety statements (S) | 24-26-37/39-61 |
| REACH registrations | Inactive |
Safety & Regulations
| GHS classification | DangerH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement) |
|---|---|
| Regulatory information | Status: Active Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/4299 |
| Hazard Classes and Categories | Eye damage - category 1Eye Dam. 1 |
| Risk statements (R) | 41-43-52/53 |
| Signal word | Danger |
| GHS pictogram | GHS05,GHS07 |
| Hazard symbols | Xi |
| Safety statements (S) | 24-26-37/39-61 |
| GHS hazard statements | H317-H318-H412 |
| REACH registrations | Inactive |
| GHS precautionary statements | P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P280-P305+P351+P338-P310-P273-P501 |
Applications & Uses
Uses
Methyl (-)-(2R,3S)-2,3-epoxy-3-(4methoxyphenyl)propronate is a chiral intermediate and is prepared using newly isolated Galactomyces geotrichum.