DL-12-Hydroxyoctadecanoic acid methyl ester
Structural formula
| Business number | 03TU |
|---|---|
| Molecular formula | C19H38O3 |
| Molecular weight | 314.50 |
| label |
12-Hydroxymethylstearate, 12-Hydroxy-octadecanoic acid methylester, Methyl 12-hydroxystearate, aliphatic compounds |
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
