2,6-Dimethylmercaptophenol
Structural formula
| Business number | 03A2 |
|---|---|
| Molecular formula | C8H10S |
| Molecular weight | 138.23 |
| label |
2,6-Dimethylbenzenethiol, (CH3)2C6H3SH, food additives, Flavor enhancer |
Numbering system
CAS number:118-72-9
MDL number:MFCD00010021
EINECS number:204-272-3
RTECS number:None
BRN number:None
PubChem number:24858548
Physical property data
1. Characteristics: Colorless to yellow liquid.
2. Density (g/mL,25℃): 1.038
3. Relative vapor density (g/mL,Air =1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):72
6. Boiling point (ºC,kPa): Undetermined
7. Refractive index:1.575
8. Flashpoint (ºC): 85
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,25ºC): Undetermined
12. Saturated vapor pressure (kPa, ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined
<P class=MsoNormal style="MARGIN: 0cm 0cm 0pt 36pt; TEXT-INDENT: -18pt; TEXT-ALIGN: left; mso-list: l0 level1 lfo1; tab-stops: list 36.0pt; mso-paEr volume (m3/mol):134.5
3、 Isotonic specific volume (90.2K) ：331.0
4, Surface Tension (dyne/cm):36.6
5、 Polarizability (10-24cm3):17.47
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 1
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 80.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Save sealed in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet
d=”js”>Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 0
5. Number of tautomers: 2
6. Topological molecule polar surface area 1
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 80.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides.
Storage method
Save sealed in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidizing agents.
Synthesis method
None yet
Purpose
None yet