HuagongsheHuagongshe Chemistry Print Report · For research reference only
Benzeneacetic acid, 3,4-dimethoxy-, methyl ester
Ai3-10503 · ASISCHEM P46906 · Einecs 240-100-3 · METHYL HOMOVERATRATE · Homoveratric acid methyl · Methyl 2-(3,4-dimethoxyphenyl) · Homoveratric acid, methyl ester · VERATRYLACETIC ACID METHYL ESTER
Identifiers & Physical Properties
| CAS No. | 15964-79-1 |
|---|---|
| Molecular formula | C11H14O4 |
| Average molar mass | 210.23 g/mol |
| Monoisotopic mass | 210.08920893 g/mol |
| SMILES | COC(=O)Cc1ccc(OC)c(OC)c1 |
| InChIKey | DILOFCBIBDMHAY-UHFFFAOYSA-N |
| PubChem CID | 85213 |
| ChEMBL | CHEMBL3289680 |
| EC No. | 240-100-3 |
| DTXSID | DTXSID5065982 |
Chemical & Physical Properties
| XLogP | 1.3 |
|---|---|
| Topological polar surface area | 44.8 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 5 |
| Heavy atoms | 15 |
| Formal charge | 0 |
| Complexity | 205 |
| Boiling point | 175℃ (15 Torr) |
| Density | 1.105±0.06 g/cm3 (20 ºC 760 Torr) |
| Refractive index | 1.5253 (23℃) |
| Flash point | 121.6±23.2℃ |
| Storage conditions | Sealed in dry,Room Temperature |
| Solubility | Chloroform (Slightly), Methanol (Slightly) |
| Physical state | Oil |
| Color | Colourless |
| EPA Substance Registry System | Benzeneacetic acid, 3,4-dimethoxy-, methyl ester (15964-79-1) |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
| TSCA inventory status | TSCA listed |
Safety & Regulations
| GHS classification | DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (50%) |
| TSCA inventory status | TSCA listed |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H302-H315-H319-H332-H335 |
| GHS precautionary statements | P261-P280-P305+P351+P338 |
Applications & Uses
Uses
Methyl Homoveratrate can be used as entry inhibitors against H5N1.