Structural formula
| Business number | 0389 |
|---|---|
| Molecular formula | C9H20O2 |
| Molecular weight | 160.25 |
| label |
flame retardant, alcohol solvent |
Numbering system
CAS number:115-84-4
MDL number:MFCD00004697
EINECS number:204-111-7
RTECS number:TY3605000
BRN number:1737392
PubChem number:24848527
Physical property data
1. Properties: Undetermined
2. Density (g/mL, 20℃): 0.93
3. Relative vapor density (g/mL, air=1) : Undetermined
4. Melting point (ºC): 43.8
5. Boiling point (ºC, normal pressure): 262, 178ºC (6665pa)
6. Boiling point (ºC, 50mmHg): 178
7. sub>: 1.4587
8. Flash point (ºC): >110
9. Specific rotation (º): Undetermined
10. Autoignition point Or ignition temperature (ºC): not determined
11. Vapor pressure (mmHg, ºC): not determined
12. Saturated vapor pressure (kPa, ºC): not determined
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. The lower explosion limit (%, V/V) has not been determined:
19. Solubility: has not been determined
Toxicological data
1. Acute toxicity: Rat oral LD5O: 5040mg/kg
Rabbit transdermal LD5O: 3810mg/kg
Ecological data
None
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 46.78
2. Molar volume (cm3/mol): 172.1
3. Isotonic specific volume (90.2K): 418.7
4. Surface tension (dyne/cm): 35.0
5. Polarizability (10-24cm3): 18.54
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 1.8
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 6
5. Number of tautomers: none
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 11
8. Surface charge: 0
9. Complexity: 87.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine ��Number of stereocenters of chemical bonds: 0
14. Number of stereocenters of uncertain chemical bonds: 0
15. Number of covalent bond units: 1
Properties and stability
1. Exist in smoke.
Storage method
None
Synthesis method
None
Purpose
Additive flame retardant, mainly used in PBT and ABS/PC polymer alloys, has better melt flow rate and higher flame retardant efficiency
