| Melting point |
195-197°C |
| Boiling point |
521.3±50.0 °C(Predicted) |
| Density |
1.001±0.06 g/cm3(Predicted) |
| vapor pressure |
0Pa at 25℃ |
| pka |
8.70±0.40(Predicted) |
| InChI |
InChI=1S/C29H42O3/c1-26(2,3)19-13-14-23(20(17-19)27(4,5)6)32-25(31)18-15-21(28(7,8)9)24(30)22(16-18)29(10,11)12/h13-17,30H,1-12H3 |
| InChIKey |
KJYSXRBJOSZLEL-UHFFFAOYSA-N |
| SMILES |
C(OC1=CC=C(C(C)(C)C)C=C1C(C)(C)C)(=O)C1=CC(C(C)(C)C)=C(O)C(C(C)(C)C)=C1 |
| CAS DataBase Reference |
4221-80-1(CAS DataBase Reference) |
| EPA Substance Registry System |
Benzoic acid, 3,5-bis(1,1-dimethylethyl)-4-hydroxy-, 2,4-bis(1,1-dimethylethyl)phenyl ester (4221-80-1) |