Structural formula
| Business number | 02AV |
|---|---|
| Molecular formula | C3H8O2S |
| Molecular weight | 108.16 |
| label |
α-monothioglycerol, α-thioglycerol, 3-Mercapto-1,2-propanediol, α-Monothioglycerol, α-Thioglycerol, 3-Mercapto-1,2-propanediol |
Numbering system
CAS number:96-27-5
MDL number:MFCD00004879
EINECS number:202-495-0
RTECS number:TY8140000
BRN number:1732046
PubChem number:24896684
Physical property data
1. Characteristics: Colorless to light yellow transparent viscous liquid with strong hygroscopicity and sulfur smell.
2. Density (g/mL,20℃):1.24
3. Relative vapor density (g/mL,Air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC,normal pressure):118
6. Boiling point (ºC, kPa): Not determined
7. Refractive index:1.527
8. Flashpoint (ºC): 149
9. Bi XuanPhotometric (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg,ºC): 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 (water): undetermined
17. Explosion upper limit (%,V/V): Undetermined
18. Lower explosion limit (%,V/V): Undetermined
19. Solubility:Insoluble in ether, soluble in water, ethanol and acetone.
Toxicological data
1. Acute toxicity: rat intraperitoneal LD50: 390mg/kg; Mouse intraperitoneal LD50: 340mg/kg; Cat intraperitoneal LD50 : 220mg/kg; rabbit intraperitoneally LD50: 250mg/kg;
2, and many others Dose toxicity: Rat skin contact TDLo: 12mg/kg/4W-I;
3, reproductive toxicity
Hamster subcutaneous TDLo: 1925mg/kg ( Male rats 35 days ago to mate);
4、 Mutagenicity
E. coli mutation experiment: 2000ppm;
Ecological data
This substance is slightly harmful to water.
Molecular structure data
1. Molar refractive index: 26.87
2. Molar volume（m3/ mol）：87.4
3. isotonic ratio（90.2K）：234.2
4. surface tension(dyne/cm)：51.3
5. Dielectric constant:
6. Dipole moment（10 -24cm3)：
7. Polarizability:10.65
Compute chemical data
1. Reference value for calculation of hydrophobic parameters (XlogP): -0.8
2. Number of hydrogen bond donors: 3
3. Number of hydrogen bond acceptors: 3
p>
4. Number of rotatable chemical bonds: 2
5. Number of tautomers: none
6. Topological molecule polar surface area 41.5
7. Number of heavy atoms: 6
8. Surface charge: 0
9. Complexity: 32
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 1
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
AvoidContact air, avoid using Strong oxidizing agent, waterContact.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire, heat and water sources. Keep container tightly sealed. should be kept away from oxidizer, do not store together. Equipped with corresponding varietiesand quantity of fire-fighting equipment. The storage area should be equipped with emergency spill treatment equipment and suitable containment materials.
Synthesis method
None
Purpose
Used as stabilizer and polymerization regulator for acrylonitrile polymers; modifier for reactive fuels; sensitizer raw material for photosensitive coatings; polymerization regulator for epoxy resin coatings; environmental protection Catalyst for oxyamine resin; stabilizer for chlorine-containing polymers, etc.
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