dihexyl phthalate dihexyl phthalate

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:84-75-3

mdl number:mfcd00043720

einecs number:201-559-5

rtecs number:ti1100000

brn number:1886839

pubchem id:none

physical property data

1. properties: colorless or slightly yellow oily liquid with aromatic odor

2. density (g/ml, 25/4℃): 1.01

3. relative density (20℃, 4℃): 1.0101

4. melting point (ºc): -58

5. boiling point (ºc, normal pressure): 210 (666.5pa)

6. boiling point (ºc, 97.99kpa): 350℃ 7. refractive index at room temperature (n²⁰): 1.48858. flash point (ºc): 200.1

9. specific rotation ( º): not determined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (kpa, 25ºc): not determined

12. saturated vapor pressure (kpa, 60ºc): undetermined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined determined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17 . explosion upper limit (%, v/v): undetermined

18. explosion lower limit (%, v/v): undetermined

19. solubility: soluble in ethanol and ether, insoluble in water

toxicological data

1. acute toxicity:

rat caliber ld50: 29600mg/kg; rat ld50: >33mg/kg;

mouse ld50: 22500mg/kg;

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rabbit skin ld50: >20mg/kg;

pig ld50: 12130mg/kg;

2. other multiple dose toxicity:

large rat caliber tdl0: 25200 mg/kg/21d-i;

rat caliber tdl0: 3 mg/kg/30d-i;

bird caliber tdl0: 3862mg/kg/30d -i;

3. neurotoxicity:

rabbit skin test: 500 mg/24hreaction;

ecological data

none yet

molecular structure data

1. molar refractive index: 96.12

2. molar volume (cm³/mol): 330.2

3. isotonic specific volume (90.2k ): 814.8

4. surface tension (dyne/cm): 37.0

5. polarizability��10^-24cm³): 38.10

compute chemical data

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: 14

5. number of tautomers: none

6. topological molecule polar surface area 52.6

7. number of heavy atoms: 24

8. surface charge: 0

9. complexity: 320

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

1. found in flue-cured tobacco leaves.

storage method

none yet

synthesis method

1. tobacco: fc, 9.

purpose

1. used in resin synthesis and as a toughening agent.