2,6,8-trimethyl-4-nonanone 2,6,8-trimethyl-4-nonanone

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:123-18-2

mdl number:none

einecs number:none

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. properties: colorless liquid with fruity aroma.

2. boiling point (ºc, 101.3kpa): 211~219

3. melting point (ºc): -75

4. density (g/ml , 20ºc): 0.8165

5. relative vapor density (g/ml, air=1): 6.37

6. refractive index (20ºc): 1.4273

7. flash point (ºc, opening): 91

8. viscosity (mpa·s, 20ºc): 1.91

9. solubility: insoluble in water, soluble in alcohol , ether and other phases are miscible.

toxicological data

slightly toxic. causes dermatitis after contact.

ecological data

none yet

molecular structure data

1. molar refractive index: 57.54

2. molar volume (cm³/mol): 224.8

3. isotonic specific volume (90.2k ): 506.7

4. surface tension (dyne/cm): 25.7

5. polarizability (10^-24cm³): 22.81

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 3.8

2. number of hydrogen bond donors: 0

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 6

5. number of tautomers: 3

6. topological molecule polar surface area 17.1

7. number of heavy atoms: 13

8. surface charge: 0

9. complexity: 147

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: 0

14. number of uncertain chemical bond stereocenters: 0

15. number of covalent bond units: 1

properties and stability

none yet

storage method

none yet

synthesis method

none yet

purpose

used as a dispersant for vinyl chloride resin, a solvent for synthetic resin stabilizers, etc.