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.