3,5-Dimethyl-1-hexyn-3-ol 3,5-Dimethyl-1-hexyn-3-ol
Structural formula
| Business number | 02VF |
|---|---|
| Molecular formula | C8H14O |
| Molecular weight | 126.20 |
| label |
dimethylhexynol, Dimethylhexynol, (CH3)2CHCH2C(CH3)(OH)C≡CH, Multifunctional solvents, paraffin additives, Wetting agent intermediates |
Numbering system
CAS number:107-54-0
MDL number:MFCD00008941
EINECS number:203-500-9
RTECS number:None
BRN number:None
PubChem number:24856811
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 20/20℃): 0.8545
3. Relative vapor density (g/mL, air=1): 4.34
4. Melting point (ºC): -68
5. Boiling point (ºC, normal pressure): 150-151
6. Refractive index (20ºC): 1.434
7. Flash point (ºC): 44
8. Vapor pressure (mmHg, 20ºC): 4.5
9. Solubility: Slightly soluble in water.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 38.39
2. Molar volume (cm3/mol): 142.2
3. Isotonic specific volume (90.2K ): 338.6
4. Surface tension (dyne/cm): 32.0
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 15.22
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.6
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 3
5. Number of tautomers: none
6. Topological molecule polar surface area 20.2
7. Number of heavy atoms: 9
8. Surface charge: 0
9. Complexity: 129
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
Storage method
None
Synthesis method
This product has something in common with the production methods of other acetylenic alcohols. It can be obtained by reacting acetylene with ketones or aldehydes.
Purpose
Can be used as a volatile surfaceIntermediates of demulsifiers, viscosity reducers, retardants, herbicides, demulsifiers, glass cleaners, paraffin additives, defoaming agents, and wetting agents. It can also be used as a stabilizer for solvents and chlorination of organic compounds.