3-Methyl-1-pentanol
Structural formula
| Business number | 0601 |
|---|---|
| Molecular formula | C6H14O |
| Molecular weight | 102.18 |
| label |
alcohol solvent |
Numbering system
CAS number:589-35-5
MDL number:MFCD00002937
EINECS number:209-644-9
RTECS number:None
BRN number:1718979
PubChem number:24901873
Physical property data
1. Physical property data
1. Boiling point (℃): 151~152
2. Relative density (20℃, 4℃): 0.8237
3. Relative density (25℃, 4℃): 0.8202
p>
4. Refractive index at room temperature (n20D): 1.418
5. Refractive index at room temperature (n25): 1.4175
6. Flash point (ºC): 58
Toxicological data
None yet
Ecological data
3. Ecological data:
1. Other harmful effects: This substance may be harmful to the environment, and special attention should be paid to water bodies.
Molecular structure data
None yet
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
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: 7
8. Surface charge: 0
9. Complexity: 35.2
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
Stability and reactivity:
1. Materials to avoid: Oxides.
2. Products to be decomposed: carbon monoxide and carbon dioxide.
3. Exist in tobacco leaves and smoke.
Storage method
Storage:
Seal the container and store it in a sealed main container in a cool, dry place.
Synthesis method
None yet
Purpose
None yet
