4-n-Octylbenzoic acid
- Product Name4-n-Octylbenzoic acid
- CAS3575-31-3
- CBNumberCB6224428
- MFC15H22O2
- MW234.33
- EINECS222-692-5
- MDL NumberMFCD00042649
- MOL File3575-31-3.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 97-98 °C(lit.) |
| Boiling point | 361.43°C (estimate) |
| Density | 1.002 |
| refractive index | 1.5262 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| form | powder to crystal |
| pka | 4.36±0.10(Predicted) |
| color | Crystals from EtOH (aq) |
| Water Solubility | Soluble in methanol, hot hexane, hot ethanol and 2-propanol and toluene. Insoluble in water. |
| BRN | 1954607 |
| InChI | 1S/C15H22O2/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3,(H,16,17) |
| InChIKey | ZQLDNJKHLQOJGE-UHFFFAOYSA-N |
| SMILES | CCCCCCCCc1ccc(cc1)C(O)=O |
| CAS DataBase Reference | 3575-31-3(CAS DataBase Reference) |
| FDA UNII | PWH5I1J38K |
| EPA Substance Registry System | Benzoic acid, 4-octyl- (3575-31-3) |
| UNSPSC Code | 12352103 |
| NACRES | NA.23 |
Safety
| Symbol(GHS) |
|
|||||||||
| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H227 | |||||||||
| Precautionary statements | P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235 | |||||||||
| Hazard Codes | Xn | |||||||||
| Risk Statements | 36/37-22 | |||||||||
| Safety Statements | 22-24/25 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | DH5945000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HS Code | 29163990 | |||||||||
| Storage Class | 11 - Combustible Solids | |||||||||
| Toxicity | LD50 ivn-mus: 56 mg/kg CSLNX* NX#10074 | |||||||||
| NFPA 704: |
|
