2-Mercaptopropionic Acid 2-Mercaptopropionic Acid

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:79-42-5

MDL number:MFCD00004862

EINECS number:201-206-5

RTECS number:UF5250000

BRN number:506218

PubChem number:24901535

Physical property data

1. Properties: A liquid with a special smell, corrosive and tear-inducing

2. Density (g/mL, 25/4℃): 1.197

3. Relative vapor density (g/mL, air=1): Uncertain

4. Melting point (ºC): 10-14°C.

5. Boiling point (ºC, normal pressure): 102°C

6. Boiling point (ºC, 5.2kPa): Uncertain

7. Refractive index : 1.4804-1.4824

8. Flash point (ºC): 87°C

9. Specific rotation (º): Uncertain

10. Spontaneous combustion Point or ignition temperature (ºC): Uncertain

11. Vapor pressure (kPa, 25ºC): Uncertain

12. Saturated vapor pressure (kPa, 60ºC): Uncertain

13. Heat of combustion (KJ/mol): Uncertain

14. Critical temperature (ºC): Uncertain

15. Critical pressure (KPa) : Uncertain

16. Log value of oil-water (octanol/water) partition coefficient: Uncertain

17. Explosion upper limit (%, V/V): Uncertain

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18. Lower explosion limit (%, V/V): Uncertain

19. Solubility: Miscible with water, ethanol and ether

Toxicological data

Acute toxicity

Oral LD50 672mg/kg(mus)

730mg/kg(rat)

Inhalation LCLo 700ppm(rat)

Main irritant effects:

On skin: corrosive effect on skin and mucous membranes

On eyes: strongly corrosive effect

Sensitization: No known sensitizing effects.

Ecological data

General remarks

Water hazard level 1 (German regulations) (self-assessment via list) This substance is slightly hazardous to water.

Do not allow undiluted or large amounts of product to come into contact with groundwater, waterways or sewage systems.

Do not discharge materials into the surrounding environment without government permission.

Molecular structure data

1. Molar refractive index: 25.36

2.� Molar volume (cm³/mol): 87.1

3. Isotonic specific volume (90.2K): 222.5

4. Surface tension (dyne/cm ): 42.6

5. Polarizability (10^-24cm³): 10.05

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.5

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 1

5. Topological molecular polar surface area (TPSA): 37.3

6. Number of heavy atoms: 6

7. Surface charge: 0

8. Complexity: 61.8

9. Number of isotope atoms: 0

10. Determine the number of atomic stereocenters : 0

11. The number of uncertain atomic stereocenters: 1

12. The number of determined chemical bond stereocenters: 0

13. The uncertainty of chemical bond formation Number of structural centers: 0

14, Number of covalent bond units: 1

Properties and stability

This product is toxic. See thioglycolic acid.

Storage method

This product should be sealed and stored in a cool place.

Synthesis method

After thiopyruvate is prepared by reacting pyruvic acid with hydrogen sulfide, it is then reduced with sodium amalgam.

Purpose

For the determination of cobalt.