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.