Diisopropyl xanthate disulfide O,O-diisopropyl dithiobis(thioformate)

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:105-65-7

MDL number:MFCD00048293

EINECS number:203-319-5

RTECS number:XM6844300

BRN number:None

PubChem number:24868718

Physical property data

1. Properties: The industrial product is light yellow to green crystalline particles.

2. Density (g/mL, 25℃): 1.28

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

4. Melting point (ºC): ≥52

5. Boiling point (ºC, normal pressure): Undetermined

6. Boiling point (ºC, mmHg): Undetermined

7. Refractive index: Undetermined

8. Flash point (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Not determined

11. Vapor pressure (mmHg, 20ºC): Not determined

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. Log value of oil-water (octanol/water) distribution coefficient: Undetermined

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

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

19. Solubility: Insoluble in water, soluble in ethanol, acetone, benzene, gasoline and other organic solvents.

Toxicological data

Toxic! Can cause skin allergies and swelling.

Ecological data

None

Molecular structure data

1. Molar refractive index: 73.09

2. Molar volume (cm³/mol): 211.9

3. Isotonic specific volume (90.2K ): 578.9

4. Surface tension (dyne/cm): 55.6

5. Dielectric constant:

6.  Dipole moment (10^-24cm³):

7, Polarizability: 28.97

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.1

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 6

4. Number of rotatable chemical bonds: 7

5. Number of tautomers: none

6. Topological molecule polar surface area 133

7. Number of heavy atoms: 14

8. Surface charge: 0

9. Complexity: 182

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

1. Toxic! Can cause skin allergies and swelling. Operators must wear protective equipment. During storage and transportation, contact with peroxide is strictly prohibited to avoid the generation of asphyxiating gas (CS2).

2.This product has very little toxicity. For rats and guinea pigs, the oral LD50 is 18000mg/kg. However, there are also reports that it easily penetrates into the skin and tissues and often comes into contact with the skin, which can cause the skin to turn red due to inhalation and cause scaly desquamation. Sometimes it can cause nausea, vomiting, chills, convulsions and vision loss, and can also cause metamorphosis. Sexual reactions may even lead to cloudy eyes. Protective measures can be taken according to the regulations on toxic substances. Operators should wear protective equipment.

Storage method

During storage and transportation, contact with peroxide is strictly prohibited.

This product is packaged in aluminum barrels, plastic barrels or glass bottles. Store in a cool, ventilated and dry place, and store and transport according to regulations for flammable and toxic substances.

Synthesis method

Sodium isopropyl xanthate and potassium persulfate are oxidized to form diisopropyl xanthate disulfide, which is washed with soft water and vacuum dried to obtain the finished product. 1 ton of product consumes 1192kg of sodium isopropylxanthate (dry product, ≥84%) and 1123kg of potassium persulfate (99.5%).

Purpose

This product is used as a rubber accelerator. Its usage is similar to the accelerator dibutyl xanthate disulfide. The general dosage is 2.0 parts. This product is also used as a molecular weight regulator for synthetic rubber, a lubricating oil regulator, an ore flotation agent, a fungicide and a weeding agent, etc.