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