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.
