4-Pentylbenzoic acid
- Product Name4-Pentylbenzoic acid
- CAS26311-45-5
- CBNumberCB6344403
- MFC12H16O2
- MW192.25
- EINECS247-607-9
- MDL NumberMFCD00002572
- MOL File26311-45-5.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 85-90 °C |
| Boiling point | 261 °C (746 mmHg) |
| Density | 1.0430 |
| refractive index | 1.5207 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | soluble in Ether, Alcohol |
| form | powder to crystal |
| pka | 4.35±0.10(Predicted) |
| color | Colorless liquid |
| Water Solubility | insoluble |
| BRN | 2044798 |
| InChI | 1S/C12H16O2/c1-2-3-4-5-10-6-8-11(9-7-10)12(13)14/h6-9H,2-5H2,1H3,(H,13,14) |
| InChIKey | CWYNKKGQJYAHQG-UHFFFAOYSA-N |
| SMILES | CCCCCc1ccc(cc1)C(O)=O |
| CAS DataBase Reference | 26311-45-5(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | ET3KL92DDG |
| NIST Chemistry Reference | 4-n-Pentylbenzoic acid(26311-45-5) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DH6273000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Toxicity | LD50 ivn-mus: 56 mg/kg CSLNX* NX#10073 CONSENSUS REPORTS: Reported in EPA TSCA | |||||||||
| NFPA 704: |
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