Monoethylene glycol phthalate Ethyl Phathalylethylgylcolate
Structural formula
| Business number | 01V0 |
|---|---|
| Molecular formula | C14H16O6 |
| Molecular weight | 280.27 |
| label |
Ethoxycarbonylmethylethyl phthalate, Ethoxycarbonylmethyl Ethyl Phthalate, Diethyl o-carboxybenzoyloxyacetate, Phthalic Acid Ethoxycarbonylmethyl Ethyl Ester |
Numbering system
CAS number:84-72-0
MDL number:None
EINECS number:201-555-3
RTECS number:TI2060000
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): 1.19
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC): Unsure
5. Boiling point (ºC,Normal pressure): Uncertain
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): 185
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
17. Explosion limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
1, acute toxicity:
Mouse caliber LD50: 5660 ug/kg; mouse abdominal cavity LD50 ：4380mg/kg;
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 70.10
2. Molar Volume (m3/mol）：234.7
3. isotonic specific volume (90.2K):600.8
4. Surface Tension (dyne/cm):42.9
5. Polarizability（10-24cm3):27.79
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: 6
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: none
6. Topological molecule polar surface area 78.9
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 352
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
=left>1. Molar refractive index:70.10
2. Molar Volume (m3/mol）：234.7
3. isotonic specific volume (90.2K):600.8
4. Surface Tension (dyne/cm):42.9
5. Polarizability（10-24cm3):27.79
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: 6
4. Number of rotatable chemical bonds: 9
5. Number of tautomers: none
6. Topological molecule polar surface area 78.9
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 352
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
None yet
Storage method
None yet
Synthesis method
None yet
Purpose
None yet
None yet
Purpose
None yet