2,6,8-Trimethyl-4-nonanol 2,6,8-Trimethyl-4-nonanol

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:123-17-1

MDL number:MFCD00026491

EINECS number:None

RTECS number:RA7950000

BRN number:None

PubChem ID:None

Physical property data

1. Properties: colorless liquid.

2. Boiling point (ºC, 101.3kPa): 225.2

3. Melting point (ºC): -60

4. Relative density (g/mL, 20/4ºC): 0.8193

5. Relative vapor density (g/mL, air=1): Undetermined

6. Refractive index (20ºC): 1.4345

7. Flash point (ºC, closed): 93

Toxicological data

1. Acute toxicity: Rat oral LD50: 17gm/kg

Rabbit skin LD50: 11220uL/kg

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 59.01

2. Molar volume (cm³/mol): 225.6

3. Isotonic specific volume (90.2K ): 515.8

4. Surface tension (dyne/cm): 27.3

5. Polarizability (10^-24cm³): 23.39

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 4.3

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 1

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: none

6. Topological molecule polar surface area 20.2

7. Number of heavy atoms: 13

8. Surface charge: 0

9. Complexity: 118

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 2

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

It has the chemical reactivity of higher primary alcohols.

Storage method

None yet

Synthesis method

None yet

Purpose

Used in the manufacture of plasticizers, defoaming agents and other surfactants, etc.