2-Methyl-3-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:565-67-3

MDL number:MFCD00004567

EINECS number:209-286-3

RTECS number:SA7400000

BRN number:1718952

PubChem number:24847935

Physical property data

1. Properties: colorless and transparent liquid.

2. Relative density (g/mL, 20/4ºC): 0.8239

3. Flash point (ºC): 46.

4. Refractive index (n20ºC): 1.4168

5. Boiling point (ºC, 101.3kPa): 126.5

6. Solubility: Miscible with ethanol, ether, benzene, etc., insoluble in water.

7. Relative density (25℃, 4℃): 0.8198

8. Refractive index at room temperature (n²⁵): 1.4148

9. Critical temperature (ºC): 302.85

10. Critical pressure (MPa): 3.46

11. Gas phase standard combustion heat (enthalpy) (kJ·mol ^-1): 4022.2

12. The gas phase standard claims heat (enthalpy) (kJ·mol^-1): -339.7

13 . Liquid phase standard combustion heat (enthalpy) (kJ·mol^-1): -3965.65

14. Liquid phase standard claimed heat (enthalpy) (kJ·mol ^-1)：-396.4

Toxicological data

Irritating to eyes, mucous membranes and skin.

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: 31.29

2. Molar volume (cm³/mol): 125.8

3. Isotonic specific volume (90.2K): 282.3

4. Surface tension (dyne/cm): 25.3

5. Polarizability (10^-24cm³): 12.40

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: 2

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: 41.4

10.�Number of atomic stereocenters: 0

11. Number of determined atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 1

13 .Determined number of stereocenters of chemical bonds: 0

14. Uncertain number of stereocenters of chemical bonds: 0

15. Number of covalent bond units: 1

Properties and stability

Incompatible materials: oxidants, acids, acid anhydrides, acid chlorides.

It is flammable and can cause combustion when exposed to open flames or high heat.

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.