(±)-2-methyl-1-butanol

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:137-32-6

mdl number:mfcd00004743

einecs number:205-289-9

rtecs number:el5250000

brn number:1718810

pubchem number:24884168

physical property data

1. properties: colorless and transparent liquid with special odor.

2. boiling point (ºc, 101.3kpa): 130

3. solubility parameter (j·cm^-3)^0.5

sup>：22.274

4. relative density (g/ml, 20/4ºc): 0.815

5. relative density (25℃, 4℃): 0.8150

6. refractive index (n20ºc): 1.4107

7. viscosity (mpa·s, 20ºc): 5.09

8. flash point (ºc, opening): 43

9. heat of evaporation (kj/kg, b.p.): 472

10. vapor pressure (kpa, 65.7ºc): 6.67

11. solubility (% , water, 20ºc): 2.2

12. body expansion coefficient (k^-1, 20ºc): 0.00078

13. solubility: slightly soluble in water is miscible with alcohol and ether.

14. refractive index at room temperature (n²⁵): 1.4086

15. critical temperature (ºc): 302.25

16. critical pressure (mpa): 3.94

17. eccentricity factor: 0.678

18. van der waals area (cm²·mol^-1 ): 8.970×10⁹

19. van der waals volume (cm³·mol^-1): 62.620

20. gas phase standard combustion heat (enthalpy) (kj·mol^-1): 3379.8

21. gas phase standard claimed heat ( enthalpy) (kj·mol^-1): -302.5

22. liquid phase standard heat of combustion (enthalpy) (kj·mol^-1) : -3325.95

23. liquid phase standard claimed heat (enthalpy) (kj·mol^-1): -356.60

24. liquid phase standard heat melt (j·mol^-1·k^-1): 226.7

toxicological data

1. skin/eye irritation datarabbit skin contact: 8193ug/24h mild reaction

2. acute toxicity data: rat oral ld50: 1mg/kg; rat abdominal ldlo: 1900mg/kg

rabbit skin ld50: 3540ul/kg; amphibian-frog parenteral ldlo: 2448mg/kg

3. it is of low toxicity. it has a strong irritating effect on the eyes and a weak irritating effect on the skin, but it can be absorbed by the skin.

ecological data

none

molecular structure data

1. molar refractive index: 26.70

2. molar volume (cm³/mol): 108.9

3. isotonic specific volume (90.2k): 245.1

4. surface tension (3.0 dyne/cm): 25.6

5. polarizability (0.5 10^-24cm³): 10.58

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 1.2

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: 6

8. surface charge: 0

9. complexity: 27.1

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. found in burley tobacco leaves.

storage method

none

synthesis method

1. it exists in fusel oil and has left-handedness. high-purity dl-2-methylbutanol can be separated from fusel oil using a high-efficiency fractionation tower. to remove the water in 2-methylbutanol, calcium oxide can be refluxed and then fractionated, and the distillate can be refluxed with magnesium and then fractionated.

2. tobacco: bu, 56; fc, 40.

purpose

this product is a useful synthetic raw material. in addition to being used as a solvent, it is also used to introduce rotary pentyl groups in organic synthesis.