HuagongsheHuagongshe Chemistry Print Report · For research reference only
p-Methoxyphenylpropionic acid
2-(4-methoxyphenyl)propanoic acid · Benzeneacetic acid, 4-methoxy-α-methyl-
Identifiers & Physical Properties
| CAS No. | 942-54-1 |
|---|---|
| Molecular formula | C10H12O3 |
| Average molar mass | 180.2 g/mol |
| Monoisotopic mass | 180.07864424 g/mol |
| SMILES | COc1ccc(C(C)C(=O)O)cc1 |
| InChIKey | KBDLTYNZHQRMQC-UHFFFAOYSA-N |
| PubChem CID | 257576 |
| ChEMBL | CHEMBL370087 |
| EC No. | 829-373-5 |
| DTXSID | DTXSID70292819 |
Chemical & Physical Properties
| XLogP | 1.9 |
|---|---|
| Topological polar surface area | 46.5 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 3 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 171 |
| Melting point | 55-57 °C(Solv: benzene (71-43-2)ligroine (8032-32-4)) |
| Boiling point | 309.4±25.0 °C(Predicted) |
| Density | 1.139±0.06 g/cm3(Predicted) |
| Storage conditions | Sealed in dry,Room Temperature |
| pKa (acidity coefficient) | 4.49±0.10(Predicted) |
| Appearance | Off-white to light yellow Solid |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H335-H302-H319 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
Safety & Regulations
| GHS classification | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H335-H302-H319 |
| GHS precautionary statements | P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P |
Applications & Uses
Uses
2-(4-methoxyphenyl)propanoic Acid is a reagent used in the preparation of nonphenolic inhibitors for catechol O-methyltransferase which may be used in the treatment of neurological disorders.