Antioxidant 702

Structural formula

Business number	03A7
Molecular formula	C29H44O2
Molecular weight	424.73
label	Antioxidant AT-702, 4,4′-Methylenebis(2,6-di-tert-butylphenol), CH2[C6H2[C(CH3)3]2OH]2, Antioxidants

• 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:118-82-1

MDL number:MFCD00008822

EINECS number:204-279-1

RTECS number:SL9650000

BRN number:1916919

PubChem number:24856793

Physical property data

1. Characteristics: White or yellow powder.

2. Density (g/mL,25℃): Undetermined

3. Relative vapor density (g/mL,Air =1): Undetermined

4. Melting point (ºC):155- 159

5. Boiling point (ºC,Normal pressure): Undetermined

6. Boiling point (ºC,kPa): Undetermined

7. Refractive index: Undetermined

8. Flashpoint (ºC): Undetermined

9. Specific rotation (º): Undetermined

10. Autoignition point or ignition temperature (ºC): Undetermined

11. Vapor pressure (mmHg,25ºC): Undetermined

12. Saturated vapor pressure (kPa, ºC): Undetermined

13. Heat of combustion (KJ/mol): Undetermined

14. Critical temperature (ºC): Undetermined

15. Critical pressure (KPa): Undetermined

16. Oil and water (octanol/Log value of the partition coefficient for water: undetermined

17.、 Molar refractive index:132.87

2, Moore Volume (m³/mol):432.4

3、 Isotonic specific volume (90.2K) ：1040.5

4, Surface Tension (dyne/cm):33.5

5、 Polarizability (10^-24cm³):52.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 9.8

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 3

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 31

8. Surface charge: 0

9. Complexity: 480

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

Avoid contact with oxides.

Storage method

Save sealed in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

Suitable for antioxidant of polyethylene, polypropylene, polystyrene, ABS resin and polyester.

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5、 Polarizability (10^-24cm³):52.67

Compute chemical data

1. Reference value for hydrophobic parameter calculation (XlogP): 9.8

2. Number of hydrogen bond donors: 2

3. Number of hydrogen bond acceptors: 2

4. Number of rotatable chemical bonds: 6

5. Number of tautomers: 3

6. Topological molecule polar surface area 40.5

7. Number of heavy atoms: 31

8. Surface charge: 0

9. Complexity: 480

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

Avoid contact with oxides.

Storage method

Save sealed in a cool, dry place. Make sure the workspace has good ventilation. Store away from oxidizing agents.

Synthesis method

None yet

Purpose

Suitable for antioxidant of polyethylene, polypropylene, polystyrene, ABS resin and polyester.