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
