4-(tert-Butyl)benzyl mercaptan
Catalog No: FT-0605428
CAS No: 49543-63-7
- Chemical Name: 4-(tert-Butyl)benzyl mercaptan
- Molecular Formula: C11H16S
- Molecular Weight: 180.31
- InChI Key: UIYKSYBJKIMANV-UHFFFAOYSA-N
- InChI: InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
| Assay | Pack Size | Price | Stock | Action |
|---|---|---|---|---|
| 98% | 1g | N/A | N/A | |
| 98% | 5g | N/A | N/A | |
| 98% | Bulk Quantity | N/A | N/A |
| Symbol: | Warning |
|---|---|
| FW: | 180.310 |
| Density: | 1.0±0.1 g/cm3 |
| CAS: | 49543-63-7 |
| Bolling_Point: | 256.2±9.0 °C at 760 mmHg |
| Product_Name: | 4-tert-Butylbenzyl mercaptan |
| Melting_Point: | N/A |
| Flash_Point: | 102.3±8.9 °C |
| MF: | C11H16S |
| Molecular_Structure: | ['1 . Molar refractive index 5745 ', '2 . Molar volume 1864 ', '3 . Parachor （902K）4439 ', '4 . Surface tension 321 ', '5 . Polarizability 2277 ', '6 . Dielectric constant 未确定'] |
|---|---|
| LogP: | 4.43 |
| Flash_Point: | 102.3±8.9 °C |
| Refractive_Index: | 1.528 |
| FW: | 180.310 |
| Density: | 1.0±0.1 g/cm3 |
| Bolling_Point: | 256.2±9.0 °C at 760 mmHg |
| Computational_Chemistry: | ['1. XlogP :37 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :1 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 1 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :126 ', '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'] |
| PSA: | 38.80000 |
| MF: | C11H16S |
| More_Info: | ['1 . Appearance 无可用 ', '2 . Density（g/mL,25/4℃）00966 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）102-103/31mm Hg ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index1543 ', '8 . Flash point（ºC）722 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用'] |
| Vapor_Pressure: | 0.0±0.5 mmHg at 25°C |
| Exact_Mass: | 180.097275 |
| Personal_Protective_Equipment: | Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter |
|---|---|
| Hazard_Codes: | Xi:Irritant; |
| Risk_Statements(EU): | R36/37/38 |
| Safety_Statements: | S26-S36 |
| Symbol: | Warning |
| Warning_Statement: | P261-P305 + P351 + P338 |
| RIDADR: | UN 3334 |
| HS_Code: | 2930909090 |
| WGK_Germany: | 3 |
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