Dinonyl Phthalate Dinonyl Phthalate
Structural formula
| Business number | 01V3 |
|---|---|
| Molecular formula | C26H42O4 |
| Molecular weight | 418.62 |
| label |
dinonyl phthalate, dinonyl phthalate, 1,2-Dinonyl phthalate, Phthalic Acid Dinonyl Ester, C6H4(COOC9H19)2, plasticizer, color chromatography fixative |
Numbering system
CAS number:84-76-4
MDL number:MFCD00036237
EINECS number:201-560-0
RTECS number:TI1800000
BRN number:1916263
PubChem ID:None
Physical property data
1. Properties: colorless or light yellow clear viscous liquid, special odor, neutral reaction
2. Density (g/mL, 25/4℃): 0.964
3. Density (g/mL, 20/4℃): 0.975
4. Melting point (ºC): -52
5. Boiling point (ºC, 0.665KPa): 246
6. Boiling point (ºC, 0.133KPa): 205～220
7. Refractive index (20ºC): 1.4839
8. Flash point (ºC) :218
9. Boiling point (ºC): 2502.5
10. Vapor pressure (kPa, 25ºC): Undetermined
11. Saturated vapor pressure (kPa, 60ºC): Undetermined
12. Heat of combustion (KJ/mol): Undetermined
13. Critical temperature (ºC): Undetermined
14. Critical pressure (KPa): Undetermined
15. Log value of oil-water (octanol/water) partition coefficient: Undetermined
16. Explosion upper limit (%, V/V): Undetermined
17. Explosion lower limit (%, V/V): Undetermined
18. Solubility: Can be mixed with a variety of organic Solvent miscible, insoluble in water.
Toxicological data
Acute toxicity: rat LD50: 18mg/kg; mouse LD50: 21500mg/kg;
Mouse LD50: 21500mg/kg; pig caliber LD50: 21500mg/kg;
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 123.92
2. Molar volume (cm3/mol): 429.3
3. Isotonic specific volume (90.2K ): 1053.5
4. Surface tension (dyne/cm): 36.2
5. Polarizability (10-24cm3): 49.12
Calculate chemical numbers�
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 20
5. Number of tautomers: none
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 30
8. Surface charge: 0
9. Complexity: 395
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
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
Colorless liquid.
Storage method
This product should be sealed and stored in a cool, dry place.
Synthesis method
It is derived from the esterification of phthalic acid and n-nonanol.
Purpose
It is a plasticizer for polyvinyl chloride and other vinyl plastics, and is also used as a fixed phase for gas-liquid chromatography analysis.
