Bis(2-butoxyethyl) adipate

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: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.