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