Dihexyl phthalate Dihexyl phthalate
Structural formula
| Business number | 01V2 |
|---|---|
| Molecular formula | C20H30O4 |
| Molecular weight | 334.46 |
| label |
Di-n-hexyl phthalate, Phthalic acid dihexyl ester, Dihexylester kyseliny ftalove, Di-n-hexyl phthalate |
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.
