4-(3,4-Dimethoxyphenyl)butyric acid
- Product Name4-(3,4-Dimethoxyphenyl)butyric acid
- CAS13575-74-1
- CBNumberCB6136491
- MFC12H16O4
- MW224.25
- MDL NumberMFCD00134101
- MOL File13575-74-1.mol
Chemical Properties
| Melting point: | 62-63 °C(lit.) |
| Boiling point: | 210 °C6 mm Hg(lit.) |
| Density | 1.1697 (rough estimate) |
| refractive index | 1.5130 (estimate) |
| Flash point: | 210°C/6mm |
| storage temp. | Storage temp. 2-8°C |
| form | powder |
| pka | 4.74±0.10(Predicted) |
| Appearance | White to off-white Solid |
| InChI | 1S/C12H16O4/c1-15-10-7-6-9(8-11(10)16-2)4-3-5-12(13)14/h6-8H,3-5H2,1-2H3,(H,13,14) |
| InChIKey | IDQKCIAJGRMMNC-UHFFFAOYSA-N |
| SMILES | COc1ccc(CCCC(O)=O)cc1OC |
Safety
| Symbol(GHS) |
|
| Signal word | Warning |
| Hazard statements | H319 |
| Precautionary statements | P305+P351+P338 |
| PPE | Eyeshields, Gloves, type N95 (US) |
| Hazard Codes | Xi |
| Risk Statements | 36 |
| Safety Statements | 26 |
| WGK Germany | 3 |
| HS Code | 2918990090 |
| Storage Class | 11 - Combustible Solids |
| Hazard Classifications | Eye Irrit. 2 |