undecanoic acid undecanoic acid

structural formula

• numbering system
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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.