Bis(2-butoxyethyl) adipate
Structural formula
| Business number | 03TS |
|---|---|
| Molecular formula | C18H34O6 |
| Molecular weight | 346.46 |
| label |
Dibutoxyethyl adipate, Adipic acid bis(2-butyoxyethyl) ester, Adipic Acid Di(2-butoxyethyl) Ester, aliphatic compounds |
Numbering system
CAS number:141-18-4
MDL number:MFCD00053796
EINECS number:205-466-0
RTECS number:AU8450000
BRN number:None
PubChem number:24869667
Physical property data
1. Physical property data
1. Character: Liquid
2. Density (g/mL,25/4℃) ：0.997
3. Boiling point (ºC,Normal pressure):208 ºC
4. Flash Point (ºC):187.7 ºC
5. Saturated vapor pressure (kPa,60ºC):<0.023
6. -font-family: Arial”> Solubility:Slightly soluble in water and soluble in most organic solvents.
Toxicological data
2. Toxicological data:
1, acute toxicity: rat abdominal cavity LD50: 600 mg /kg
Ecological data
3. Ecology Data:
1. Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:92.48
2. Molar volume (cm3/mol): 345.3
3. Isotonic specific volume (90.2K ):837.0
4.
1, acute toxicity: rat abdominal cavity LD50: 600 mg /kg
Ecological data
3. Ecology Data:
1. Other harmful effects: This substance may be harmful to the environment, and special treatment should be given to water bodies. Notice.
Molecular structure data
5. Molecular property data:
1. Molar refractive index:92.48
2. Molar volume (cm3/mol): 345.3
3. Isotonic specific volume (90.2K ):837.0
4. Surface tension (dyne/ cm):34.5
5. Polarizability（10-24cm3):36.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 19
5. Number of tautomers: none
6. Topological molecule polar surface area 71.1
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 276
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
Stable under normal temperature and pressure.
Incompatible materials:Strong oxidizing agent
Storage method
Store in a cool, ventilated warehouse.
Synthesis method
None yet
Purpose
<font face=" It is an important chemical intermediate and used as a plasticizer.
; mso-ascii-font-family: Arial; mso-hansi-font-family: Arial; mso-bidi-font-family: Arial”>Surface tension (dyne/cm):34.5
5. Polarizability（10-24cm3):36.66
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.8
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 6
4. Number of rotatable chemical bonds: 19
5. Number of tautomers: none
6. Topological molecule polar surface area 71.1
7. Number of heavy atoms: 24
8. Surface charge: 0
9. Complexity: 276
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
Stable under normal temperature and pressure.
Incompatible materials:Strong oxidizing agent
Storage method
Store in a cool, ventilated warehouse.
Synthesis method
None yet
Purpose
<font face=" It is an important chemical intermediate and used as a plasticizer.
