crotamiton

Structural formula

Business number	052G
Molecular formula	C13H17NO
Molecular weight	203.28
label	N-Ethyl-o-crotonotoluidide, CH3CH=CHCON(C2H5)C6H4CH3

• 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:483-63-6

MDL number:MFCD00026989

EINECS number:207-596-3

RTECS number:GQ7000000

BRN number:None

PubChem number:24847834

Physical property data

1. Character: Undetermined

2. Density (g/ m³,25/4℃): 0.987

3. Relative vapor density (g/cm³,AIR=1): Undetermined

4. Melting point (ºC): Undetermined

5. Boiling point (ºC,Normal pressure):153

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

7. Refractive index ：1.54

8. Flash Point (ºF):230

9. Specific optical rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

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

12. Saturated vapor pressure (kPa,60ºC): 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: not OK

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

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

19. Solubility: Undetermined

Toxicological data

Acute toxicity: Orally administered to ratsLD50：1500mg/kg, no details except lethal dose;

Rat transperitonealLD50: 318mg/kg, no details except lethal dose;

Rat subcutaneouslyLD50: 1630mg/kg, no details except lethal dose;

Mouse oral LD50: 1600mg/kg, no details except lethal dose;

Mouse transabdominal LD50: 395mg/kg, no details except lethal dose;

Mouse subcutaneouslyLD50: 1393mg/kg, no details except lethal dose;

Ecological data

This substance may be harmful to the environment, and special attention should be paid to water bodies.

Molecular structure data

1、 Molar refractive index:64.01

2、 Molar volume（m³/mol)：200.4

3, Isotonic specific volume (90.2K): 498.3

4、 Surface tension（dyne/cm)：38.1

5、 Polarizability(10^-24cm³）：25.37

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 2.8

2. Number of hydrogen bond donors: 0

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 3

5. Number of tautomers: none

6. Topological molecule polar surface area 20.3

7. Number of heavy atoms: 15

8. Surface charge: 0

9. Complexity: 235

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: 1

14. Number of uncertain chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Use and store according to specifications, no decomposition will occur, and avoid contact with oxides

Storage method

Save in a sealed manner and place it in a ventilated and dry place to avoid contact with other oxides.

Synthesis method

None yet

Purpose

Anti-scabies medicine, used to treat scabies and itchy skin.