Dibutyl Adipate Dibutyl Adipate
Structural formula
| Business number | 02SK |
|---|---|
| Molecular formula | C14H26O4 |
| Molecular weight | 258.35 |
| label |
repellent, Dibutyl adipate, Dibutyl hexanedioate, plasticizer, aliphatic compounds |
Numbering system
CAS number:105-99-7
MDL number:MFCD00009451
EINECS number:203-350-4
RTECS number:AV0900000
BRN number:None
PubChem number:24858733
Physical property data
1. Properties: colorless and transparent liquid.
2. Relative density (g/mL, 20/4℃): 0.9613
3. Relative density (25℃, 4℃): 0.909387.1
4. Melting point (ºC): -32.4
5. Boiling point (ºC): 16510
6. Boiling point (ºC, 1.86kpa): 183
7. Refractive index (20ºC): 1.4369
8. Flash point (ºC): 110
9. Ratio Optical rotation (º): Not determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (mmHg, 20ºC): Not determined
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12. Saturated vapor pressure (kPa, 25ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC ): Undetermined
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 Soluble in ether and ethanol, insoluble in water.
Toxicological data
1. Acute toxicity: Rat pass 50: 12900mg/kg; rats inhale LC:> 17mg/m3/4h; Rat peritoneal cavity LD50: 5244 μl/kg; mice LD50: 16890mg/kg; mouse inhaled inhalation; mice inhaled inhalation LC: >17mg/m3/2H; Rabbit skin contact LD50: 20mL/kg; 2. Other multiple dose toxicity: Rabbit skin contact TDLo: 30mL/kg/6W-I; 3. Reproductive toxicity: 5-15 days after conception Transperitoneal TDLo in rats: 1049mg/kgSEX/DURATION; Transperitoneal TDLo in rats 5-15 days pregnant: 1748mg/kgSEX/DURATION;
Ecological data
Temporarily�
Molecular structure data
1. Molar refractive index: 70.45
2. Molar volume (cm3/mol): 266.5
3. Isotonic specific volume (90.2K ): 638.6
4. Surface tension (dyne/cm): 32.9
5. Dielectric constant:
6. Dipole moment (10-24cm3):
7. Polarizability: 27.93
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 3.1
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 4
4. Number of rotatable chemical bonds: 13
5. Number of tautomers: none
6. Topological molecule polar surface area 52.6
7. Number of heavy atoms: 18
8. Surface charge: 0
9. Complexity: 202
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
It is a flammable liquid. It is easy to cause combustion when exposed to open flames or high heat.
Storage method
Stored in a cool, dry place
Synthesis method
Obtained from the reaction of adipic acid and n-butanol.
Purpose
Used as an intermediate in organic synthesis and generally used as a solvent. It can also be used as a plasticizer for vinyl and cellulose resins.