dl-12-hydroxyoctadecanoic acid methyl ester

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:141-23-1

mdl number:mfcd00046706

einecs number:205-471-8

rtecs number:none

brn number:none

pubchem id:none

physical property data

none yet

toxicological data

2. toxicological data:

1. chronic toxicity/carcinogenicity

mouse subcutaneous tdlo: 1600 mg/kg/40w-i

ecological data

3. ecological data:

usually for water is not hazardous and materials should not be discharged into the surrounding environment without government permission.

molecular structure data

5. molecular property data:

1. molar refractive index:93.34

2. molar volume (m³/ mol):343.5

3. isotonic specific volume (90.2k): 826.9

4. surface tension (dyne/cm): 33.5

5. polarizability（10^-24cm³):37.00

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 6.6

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 17

5. number of tautomers: none

6. topological molecule polar surface area 46.5

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 241

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

stable under normal temperature and pressure.

storage method

-20ºc save

synthesis method

none yet

purpose

none yet

�� polarizability(10^-24cm³):37.00

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 6.6

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 3

4. number of rotatable chemical bonds: 17

5. number of tautomers: none

6. topological molecule polar surface area 46.5

7. number of heavy atoms: 22

8. surface charge: 0

9. complexity: 241

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. uncertain number of atomic stereocenters: 1

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

stable under normal temperature and pressure.

storage method

-20ºc save

synthesis method

none yet

purpose

none yet