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.
