12-Hydroxystearic Acid 12-Hydroxystearic Acid
Structural formula
| Business number | 02SR |
|---|---|
| Molecular formula | C22H42O4 |
| Molecular weight | 370.57 |
| label |
12-Hydroxyoctadecanoic acid, 12-Hydroxy-octadecanoic acid, 12-Hydroxystearic, 12-Hydroxy-stearic acid, 12-Hydroxysteric acid, Barolub fto, Barolubfto, Cerit Fac 3, Ceritfac3 |
Numbering system
CAS number:106-14-9
MDL number:MFCD00004592
EINECS number:203-366-1
RTECS number:WI3850000
BRN number:1726730
PubChem number:24853156
Physical property data
1. Properties: white crystalline powder.
2. Density (g/mL, 25℃): Undetermined
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): 80-81
5. Boiling point (ºC, normal pressure): Undetermined
6. Boiling point (ºC, mmHg): Undetermined
7. Refractive index: Undetermined
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Undetermined
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10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
12. Saturated vapor pressure (kPa, 25ºC): 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: Undetermined
Toxicological data
1. Chronic toxicity/carcinogenicity: subcutaneous TDLo in mice: 160mg/kg/40W-I; 2. Mutagenicity: mutant microbial test: bacteria-Escherichia coli, 700μmol/L;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 88.49
2. Molar volume (cm3/mol): 318.1
3. Isotonic specific volume (90.2K ): 784.1
4. Surface tension (dyne/cm): 36.9
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 35.08
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 6.5
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 16
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 57.5
7. Number of heavy atoms: 21
8. Surface charge: 0
9. Complexity: 229
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 Number: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Avoid contact with oxides and alkali.
Storage method
Stored in a cool, ventilated warehouse. Keep away from fire and heat sources. They should be stored separately from oxidants and strong alkali, and avoid mixed storage. Keep away from light. Equipped with the appropriate variety and quantity of fire equipment. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
None yet
Purpose
None yet