(Z,Z)-9,12-octadecadien-1-ol
Structural formula
| Business number | 059C |
|---|---|
| Molecular formula | C18H34O |
| Molecular weight | 266.50 |
| label |
cis, cis-9,12-octadecadienol, linolenic alcohol, alcohol solvent |
Numbering system
CAS number:506-43-4
MDL number:None
EINECS number:208-038-1
RTECS number:None
BRN number:209236
PubChem number:24854099
Physical property data
1. Characteristics: Undetermined
2. Density (g/ cm3, 25/4℃): 0.86
3. Relative steam Density (g/cm3, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, Normal pressure): 374
6. Boiling point (ºC, 8kPa): Undetermined
7. Refractive index (n 20D): 1.473
8. Flash point (ºC): 124.1
9. Specific 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. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion Upper limit (%, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: Undetermined
Toxicological data
None yet
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: 87.09
2. Molar volume (cm3/mol): 310.3
3. Isotonic specific volume (90.2K ): 739.4
4. Surface tension (dyne/cm): 32.2
5. Polarizability (10-24cm3): 34.52
Compute chemical data
1. Hydrophobic parameter calculation reference value (XlogP): 6.8
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 14
5. Number of tautomers:
6. Topological molecular polar surface area (TPSA): 20.2
7. Number of heavy atoms: 19
8, Surface charge: 0
9, Complexity: 206
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: 2
14. The number of uncertain chemical bond stereocenters: 0
15. The number of covalent bonding units: 1
Properties and stability
1. Use and store according to specifications. It will not decompose and avoid contact with oxides.
2. Exist in smoke.
Storage method
Seal and store at -20°C in a ventilated, dry environment
Synthesis method
None yet
Purpose
None yet
