2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane 2,2-Dimethyl-4-hydroxymethyl-1,3-dioxolane
Structural formula
| Business number | 02JN |
|---|---|
| Molecular formula | C6H12O3 |
| Molecular weight | 132.16 |
| label |
alcohol solvent |
Numbering system
CAS number:100-79-8
MDL number:MFCD00063238
EINECS number:202-888-7
RTECS number:JI0400000
BRN number:104465
PubChem ID:None
Physical property data
1. Properties: colorless liquid.
2. Density (g/mL, 20℃): 1.064
3. Relative vapor density (g/mL, air=1): Undetermined
4. Melting point (ºC): Undetermined
5. Boiling point (ºC, normal pressure): 189-191
6. Boiling point (ºC, kPa): 80~81( 1466pa)
7. Refractive index (n20D): 1.4383
8. Flash point (ºC): 80
9. Specific rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Undetermined
11. Vapor pressure (mmHg, 20ºC): Undetermined
12. Saturated vapor pressure (kPa, 20ºC): Undetermined
13. Heat of combustion (KJ/mol ): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Oil and water (polymer) Log value of the partition coefficient (alcohol/water): Undetermined
17. Explosion upper limit (%, V/V): Undetermined
18. Explosion lower limit (%, V/V ): Undetermined
19. Solubility: Miscible with water, alcohol, ester, ether and aromatic hydrocarbons.
Toxicological data
1. Skin/eye irritation: Standard Dresser test: rabbit eye contact, 100mg; 2. Acute toxicity: rat oral LD50: 7mg/kg; rat peritoneal cavity LD50: 3mg/kg; rat intravenous injection of LDLo : 3740μg/kg; Rabbit intravenous injection of LDLo: 8530μg/kg; 3. Mutagenicity: Micronucleus test: Mouse peritoneal cavity, 1500mg/kg;
Ecological data
This substance is slightly hazardous to water.
Molecular structure data
1. Molar refractive index: 32.59
2. Molar volume (cm3/mol): 127.7
3. Isotonic specific volume (90.2K ): 313.4
4. Surface tension (dyne/cm): 36.2
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 12.92
Compute chemical data
1.Hydrophobic parameters�� Calculation reference value (XlogP): -0.2
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 38.7
7. Heavy Number of atoms: 9
8. Surface charge: 0
9. Complexity: 101
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. Avoid contact with oxides.
2. Exist in mainstream smoke.
Storage method
Store in a cool, ventilated warehouse. Keep away from fire, heat sources and anti-static. The storage temperature should not exceed 30℃. should be kept away from oxidizer, do not store together. It should not be stored in large quantities or for long periods of time. Use explosion-proof lighting and ventilation facilities. It is prohibited to use mechanical equipment and tools that are prone to sparks. The storage area should be equipped with emergency release equipment and suitable containment materials.
Synthesis method
Prepared by the condensation of glycerol and acetone under the action of hydrogen cyanide.
Purpose
Intermediate of scallo alcohol. Universal solvent, plasticizer, pharmaceutical excipients (co-solvent, suspending agent).