Hexadecyl 3,5-bis-tert-butyl-4-hydroxybenzoate
Catalog No: FT-0696835
CAS No: 67845-93-6
- Molecular Formula: 474.8
- Formula Weight: C31H54O3
- Inchl Key: NZYMWGXNIUZYRC-UHFFFAOYSA-N
- Inchl: InChI=1S/C31H54O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-34-29(33)25-23-26(30(2,3)4)28(32)27(24-25)31(5,6)7/h23-24,32H,8-22H2,1-7H3
| Assay | Pack | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Melting_Point: | 59-61 °C(lit.) |
|---|---|
| CAS: | 67845-93-6 |
| MF: | C31H54O3 |
| Flash_Point: | 191.3ºC |
| Product_Name: | Hexadecyl 3,5-Bis-Tert-Butyl-4-Hydroxybenzoate |
| Density: | 0.936 g/cm3 |
| FW: | 474.75900 |
| Bolling_Point: | 539.2ºC at 760 mmHg |
| Refractive_Index: | 1.488 |
|---|---|
| Flash_Point: | 191.3ºC |
| LogP: | 9.62530 |
| Bolling_Point: | 539.2ºC at 760 mmHg |
| FW: | 474.75900 |
| PSA: | 46.53000 |
| Computational_Chemistry: | ['1. XlogP :125 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :19 ', '5. Isotope Atom Count :4 ', '6. TPSA 465 ', '7. Heavy Atom Count :34 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :504 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1'] |
| Melting_Point: | 59-61 °C(lit.) |
| MF: | C31H54O3 |
| Exact_Mass: | 474.40700 |
| Molecular_Structure: | ['1 疏水参数计算参考值（XlogP）125 ', '2 氢键供体数量1 ', '3 氢键受体数量3 ', '4 可旋转化学键数量19 ', '5 互变异构体数量3 ', '6 拓扑分子极性表面积（TPSA）465 ', '7 重原子数量34 ', '8 表面电荷0 ', '9 复杂度504 ', '10同位素原子数量0 ', '11确定原子立构中心数量0 ', '12不确定原子立构中心数量0 ', '13确定化学键立构中心数量0 ', '14不确定化学键立构中心数量0 ', '15共价键单元数量1'] |
| Density: | 0.936 g/cm3 |
| Risk_Statements(EU): | R36/37/38 |
|---|---|
| WGK_Germany: | 3 |
| RTECS: | DG4436220 |
| Hazard_Codes: | Xi: Irritant; |
| HS_Code: | 2918290000 |
| Safety_Statements: | S26-S36 |
