2-ethyl-2-n-butyl-1,3-propanediol
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
