1,4-butanediol monomethyl ether 1,4-butanediol monomethyl ether
structural formula
| business number | 0339 |
|---|---|
| molecular formula | c5h12o2 |
| molecular weight | 104.15 |
| label |
4-methoxy-1-butanol, 4-methoxybutan-1-ol, 4-methoxybutanol, 4-methoxy-1-butanol, 1,4-butanediol monomethyl ether, general inorganic chemicals |
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