Cyclohexylsulfamic Acid Cyclohexylsulfamic 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:100-88-9

MDL number:MFCD00065234

EINECS number:202-898-1

RTECS number:GV6950000

BRN number:2208885

PubChem number:24857790

Physical property data

1. Properties: white crystal or crystalline powder, odorless.

2. Density (g/mL, 25℃): Undetermined

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

4. Melting point (ºC): 180

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

6. Boiling point (ºC, 10mmHg): 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 , 20ºC): 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: Dissolved in water and ethanol

Toxicological data

1. Acute toxicity: Rat oral LD50: 12mg/kg; Rat intravenous LD50: 4mg/kg; Mouse oral LD50: 10mg/kg; Mouse intravenous LD50: 180mg/kg; 2. Chronic toxicity/ Carcinogenicity: Human oral TDLo: 22mg/kg/77W-C; Human oral TD: 131mg/kg/5Y-C; Human oral TD: 164mg/kg/6Y-C;

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 41.76

2. Molar volume (cm³/mol): 135.3

3. Isotonic specific volume (90.2K ): 363.6

4. Surface tension (dyne/cm): 52.1

5. Dielectric constant:

6. Dipole moment (10^-24cm³):

7. Polarizability: 16.55

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 0.6

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 2

5. Number of tautomers: none

6. Topological molecule polar surface area 74.8

7. Number of heavy atoms: 11

8. Surface charge: 0

9. Complexity: 200

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

None yet

Storage method

None yet

Synthesis method

It is formed by sulfonation of cyclohexylamine with chlorosulfonic acid or sulfamate.

Purpose

Non-nutritive sweeteners.