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.