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
p>
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