Dipropyl Phthalate Dipropyl Phthalate
Structural formula
| Business number | 03MU |
|---|---|
| Molecular formula | C14H18O4 |
| Molecular weight | 250.29 |
| label |
aromatic compounds |
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(n20D): 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