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