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

Structural formula

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

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