3-Mercapto-1,2-propanediol 3-Mercapto-1,2-propanediol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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. Specific optical rotation (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 for water: undetermined

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

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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 oxidant, 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 release 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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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 release 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.