Structural formula
| Business number | 06HW |
|---|---|
| Molecular formula | C7H16O |
| Molecular weight | 116.20 |
| label |
5-Methyl-4-hexanol, 1-Isopropyl-1-butanol, alcohol solvents, aliphatic compounds |
Numbering system
CAS number:617-29-8
MDL number:MFCD00004577
EINECS number:210-508-6
RTECS number:None
BRN number:1719040
PubChem number:24896962
Physical property data
1. Properties: colorless liquid
2. Boiling point (ºC, 101.3kPa): 141~143 (102kpa)
3. Relative density (g/mL, 25 /4ºC): 0.821
4. Refractive index (n20ºC): 1.4215
5. Flash point (ºC): 40
6. Solubility: energy Miscible with ethanol, ether and benzene, insoluble in water.
Toxicological data
None yet
Ecological data
This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
1. Molar refractive index: 35.93
2. Molar volume (cm3/mol): 142.3
3. Isotonic specific volume (90.2K ): 322.1
4. Surface tension (dyne/cm): 26.2
5. Polarizability (10-24cm3): 14.24
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.2
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: 8
8. Surface charge: 0
9. Complexity: 50.3
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
1. The product may not decompose under normal temperature and pressure. Flammable.
2. Exist in mainstream smoke.
Storage method
Seal the secret container, store it in a sealed main container, and place it in a cool, dry place.
Synthesis method
None yet
Purpose
Solvents, organic synthesis intermediates.
