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