Structural formula
| Business number | 035K |
|---|---|
| Molecular formula | C11H22O2 |
| Molecular weight | 186.29 |
| label |
undecyl alcohol, undecanoic acid, Undecanoic acid, undecanoic acid, n-Undecanoic acid, aliphatic compounds, acidic solvent |
Numbering system
CAS number:112-37-8
MDL number:MFCD00002730
EINECS number:203-964-2
RTECS number:YQ2275000
BRN number:1759287
PubChem number:24889267
Physical property data
1. Character: colorless crystal
2. Relative density: 0.8907
3. Melting point (℃): 28.6
4. Boiling point (℃ ): 280
5. Refractive index: 1.4294
6. Flash point (℃): >110
7. Solubility: soluble in ethanol and ether ,Insoluble in water.
Toxicological data
1. Irritation: Rabbit transdermal: 150mg/24H Slightly irritating.
Ecological data
No harm to water bodies.
Molecular structure data
1. Molar refractive index: 54.57
2. Molar volume (cm3/mol): 204.7
3. Isotonic specific volume (90.2K ): 491.5
4. Surface tension (dyne/cm): 33.2
5. Polarizability (10-24cm3): 21.63
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: none
6. Topological molecule polar surface area 37.3
7. Number of heavy atoms: 13
8. Surface charge: 0
9. Complexity: 121
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: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
1. Avoid contact with strong oxides.
2. Exist in flue-cured tobacco leaves and oriental tobacco leaves.
Storage method
Stored sealed in a cool, dry place. Make sure the workspace has good ventilation. Keep away from sources of fire. Store away from oxidizing agents.
Synthesis method
1. Tobacco: OR, 26; FC, 9, 15, 18, 40.
Purpose
Plastic conditioner. Organic Synthesis.
