2-Methyl-3-hexanol

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: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.

Resource:allhdi.com