4-n-Butoxyphenylacetic acid
- Product Name4-n-Butoxyphenylacetic acid
- CAS4547-57-3
- CBNumberCB5489624
- MFC12H16O3
- MW208.25
- EINECS224-904-1
- MDL NumberMFCD00016832
- MOL File4547-57-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 82-88 °C |
| Boiling point | 86-87 °C(Press: 1 Torr) |
| Density | 1.093±0.06 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | soluble in Methanol |
| form | powder to crystal |
| pka | 4.45±0.10(Predicted) |
| color | White to Light yellow |
| BRN | 1105534 |
| InChI | 1S/C12H16O3/c1-2-3-8-15-11-6-4-10(5-7-11)9-12(13)14/h4-7H,2-3,8-9H2,1H3,(H,13,14) |
| InChIKey | KLJMYYFCWBVKEE-UHFFFAOYSA-N |
| SMILES | CCCCOc1ccc(CC(O)=O)cc1 |
| CAS DataBase Reference | 4547-57-3(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 5P55RDR58C |
| Comptox DTXSID | DTXSID00196518 |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H315-H319-H335 | |||||||||
| Precautionary statements | P261-P264-P270-P301+P312-P302+P352-P305+P351+P338 | |||||||||
| Hazard Codes | Xi,Xn | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 2 | |||||||||
| RTECS | AF6945000 | |||||||||
| HS Code | 2918990090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Hazard Classifications | Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 | |||||||||
| NFPA 704: |
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