3-Methyl-1-pentanol

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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

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4. Refractive index at room temperature _(n²⁰_D): 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

Resource:allhdi.com