2-Methyl-2-heptanol
Structural formula
| Business number | 06RS |
|---|---|
| Molecular formula | C8H18O |
| Molecular weight | 130.23 |
| label |
dimethylamyl carbinol, Dimethylpentylcarbinol, 2-methylheptan-2-ol |
Numbering system
CAS number:625-25-2
MDL number:None
EINECS number:210-882-0
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Properties: colorless to light yellow transparent liquid.
2. Density (g/mL, 25/4℃): 0.8172
3. Relative density (20℃, 4℃): 0.8107
4 . Melting point (ºC): -50.4
5. Boiling point (ºC, normal pressure): 156.7
6. Refractive index at room temperature (n20): 1.4221
7. Refractive index at room temperature (n25): 1.4201
8. Flash point (ºC): Undetermined
9. Specific rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined Determined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical Temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
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17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V): Undetermined
19. Dissolution Sex: Undetermined.
Toxicological data
None
Ecological data
None
Molecular structure data
1. Molar refractive index: 40.61
2. Molar volume (cm3/mol): 158.1
3. Isotonic specific volume (90.2K ): 362.2
4. Surface tension (dyne/cm): 27.5
5. Polarizability (10-24cm3): 16.10
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.5
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 1
4. Number of rotatable chemical bonds: 4
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: 67
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Keep away from strong oxidizing agents.
Storage method
Store in an airtight container in a cool, dry place. The storage place must be away from oxidants and sources of fire.
Synthesis method
None
Purpose
None
