| 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) |
| EPA Substance Registry System |
Benzoic acid, 4-octyl- (3575-31-3) |
