2,6,8-Trimethyl-4-nonanol 2,6,8-Trimethyl-4-nonanol
Structural formula
| Business number | 03G8 |
|---|---|
| Molecular formula | C12H26O |
| Molecular weight | 186.38 |
| label |
Trimethylnonanol, 2,4,8-Trimethyl-6-nonanol, Trimethylnonyl alcohol, 2,6,8-trimethylnonan-4-ol, alcohol solvents, aliphatic compounds |
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.