1,4-butanediol monomethyl ether 1,4-butanediol monomethyl ether

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:111-32-0

mdl number:mfcd00040437

einecs number:203-858-6

rtecs number:none

brn number:none

pubchem id:none

physical property data

1. properties: colorless liquid.

2. density (g/ml, 20℃): 0.93

3. relative vapor density (g/ml, air=1): undetermined

4. melting point (ºc): undetermined

5. boiling point (ºc, normal pressure): 66

6. boiling point (ºc, kpa): undetermined

7. refractive index: undetermined

8. flash point (ºc): undetermined

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): undetermined

11. vapor pressure (mmhg, 25ºc): undetermined

12. saturated vapor pressure (kpa, ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v) : undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: slightly soluble in water.

toxicological data

1. acute toxicity: rat oral ld5o: 4gm/kg

ecological data

slightly harmful to water bodies.

molecular structure data

1. molar refractive index: 28.49

2. molar volume (cm³/mol): 114.9

3. isotonic specific volume (90.2k ): 267.4

4. surface tension (dyne/cm): 29.3

5. polarizability (10-24cm3): 11.29

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): 0.1

2. number of hydrogen bond donors: 1

3. number of hydrogen bond acceptors: 2

4. number of rotatable chemical bonds: 4

5. number of tautomers: none

6. topological molecule polar surface area 29.5

7. number of heavy atoms: 7

8. surface charge: 0

9. complexity: 29.3

10. number of isotope atoms: 0

11. determine the atomic configurationnumber of centers: 0

12. uncertain number of atomic stereocenters: 0

13. determined number of chemical bond stereocenters: 0

14. uncertain number of stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

avoid contact with oxides.

storage method

store sealed in a cool, dry place. ensure that the workspace has good ventilation facilities and explosion-proof facilities. keep away from fire sources and prevent static electricity. store away from oxidants and air.

synthesis method

none

purpose

none