dipropyl phthalate dipropyl 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:131-16-8

mdl number:mfcd00009371

einecs number:205-015-8

rtecs number:ti1940000

brn number:2332522

pubchem number:24857478

physical property data

1. melting point (ºc): -31

2. boiling point (ºc): 317.5

3. relative density (20℃, 4℃): 1.0772

4. flash point (ºc): >110

5. refractive index_(n²⁰_d): 1.497

6. properties: colorless and transparent liquid.

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

toxicological data

1. acute toxicity: mice intraperitoneal ldlo: 1251mg/kg

2. reproduction: mice (male, before mating) oral tdlo: 630gm/kg/15w

mouse (female, before fertilization) oral tdlo: 1260gm/kg/15w

ecological data

none yet

molecular structure data

5. molecular property data:

1. molar refractive index: 68.33

2. molar volume (cm³/mol): 231.2

3. isotonic specific volume (90.2k): 576.1

4. surface tension (dyne/cm): 38.5

5. polarizability (10^-24cm³): 27.08

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: 8

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: 247

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. exist in tobacco leaves and mainstream smoke.

storage method

none yet

synthesis method

none yet

purpose

none yet