4-n-Heptylbenzoic acid
- Product Name4-n-Heptylbenzoic acid
- CAS38350-87-7
- CBNumberCB0164489
- MFC14H20O2
- MW220.31
- EINECS253-894-1
- MDL NumberMFCD00009722
- MOL File38350-87-7.mol
Chemical Properties
| Melting point: | 98 °C |
| Boiling point: | 348.23°C (estimate) |
| Density | 0.9875 (estimate) |
| refractive index | 1.5241 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| pka | 4.36±0.10(Predicted) |
| form | powder to crystal |
| color | White to Almost white |
| BRN | 2047135 |
| InChI | 1S/C14H20O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)14(15)16/h8-11H,2-7H2,1H3,(H,15,16) |
| InChIKey | VSUKEWPHURLYTK-UHFFFAOYSA-N |
| SMILES | CCCCCCCc1ccc(cc1)C(O)=O |
| CAS DataBase Reference | 38350-87-7(CAS DataBase Reference) |
| EPA Substance Registry System | Benzoic acid, 4-heptyl- (38350-87-7) |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | |||||||||
| PPE | Eyeshields, Gloves, type N95 (US) | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 36/37-22 | |||||||||
| Safety Statements | 37/39-26 | |||||||||
| WGK Germany | 3 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 2916399090 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| NFPA 704: |
|