4-Butylbenzoic acid
- Product Name4-Butylbenzoic acid
- CAS20651-71-2
- CBNumberCB0158772
- MFC11H14O2
- MW178.23
- EINECS243-940-9
- MDL NumberMFCD00002571
- MOL File20651-71-2.mol
Chemical Properties
| Melting point: | 100-113 °C (lit.) |
| Boiling point: | 304.71°C (estimate) |
| Density | 1.0435 (estimate) |
| refractive index | 1.5201 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Solid |
| pka | 4.36±0.10(Predicted) |
| color | White to Off-White |
| Water Solubility | 148.2mg/L(temperature not stated) |
| BRN | 2044046 |
| InChI | 1S/C11H14O2/c1-2-3-4-9-5-7-10(8-6-9)11(12)13/h5-8H,2-4H2,1H3,(H,12,13) |
| InChIKey | JFKUBRAOUZEZSL-UHFFFAOYSA-N |
| SMILES | CCCCc1ccc(cc1)C(O)=O |
| LogP | 3.970 |
| CAS DataBase Reference | 20651-71-2(CAS DataBase Reference) |
| NIST Chemistry Reference | 4-Butylbenzoic acid(20651-71-2) |
| EPA Substance Registry System | Benzoic acid, 4-butyl- (20651-71-2) |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H302-H335-H315-H319-H402 | |||||||||
| Precautionary statements | P264-P273-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501-P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 36/37/38-22 | |||||||||
| Safety Statements | 22-24/25-37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2916399090 | |||||||||
| Storage Class | 13 - Non Combustible Solids | |||||||||
| NFPA 704: |
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