2,6-di-tert-butyl-4-(dimethylaminomethyl)phenol
Structural formula
| Business number | 01ZD |
|---|---|
| Molecular formula | C17H29NO |
| Molecular weight | 263.42 |
| label |
2,6-di-tert-butyl-p-(dimethylaminomethyl)phenol, 2,6-Di-tert-butyl-p-(dimethylaminomethyl)phenol, (CH3)2NCH2C6H2[C(CH3)3]2OH |
Numbering system
CAS number:88-27-7
MDL number:MFCD00026283
EINECS number:201-816-1
RTECS number:GO7887000
BRN number:884076
PubChem number:24865853
Physical property data
1. Character: white or light yellow Crystalline powder.
2. Density ( g/mL,25/4℃) ：0.97
3. Relative vapor density (g/mL,AIR=1): Undetermined
4. Melting point ( ºC): 94
5. Boiling point ( ºC,Normal pressure): Undetermined
6. Boiling point ( ºC,5.2kPa): Undetermined
7. Refractive Index: Undetermined
8. Flashpoint (ºC): 138℃
9. Specific optical rotation (º): Undetermined
10. Autoignition point or ignition temperature (ºC): Not OK
11. Vapor pressure (kPa,25ºC): Undetermined
12. Saturation vapor pressure (kPa,60ºC): Undetermined
13.、 Number of tautomers: 2
6 , Topological molecular polar surface area (TPSA): 23.5
7 , Number of heavy atoms: 19
8 , Surface charge: 0
9 , Complexity: 261
10 , Isotope atomic number: 0
11 , Determine the number of atomic stereocenters: 0
12 , Uncertain number of atomic stereocenters: 0
13 , Determine the number of stereocenters of chemical bonds: 0
14 , Uncertain number of chemical bond stereocenters: 0
15 , Number of covalent bond units: 1
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 2
6. Topological molecule polar surface area 23.5
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 261
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
This product should be sealed and stored in a cool, dry place.
Synthesis method
None yet
Purpose
Antioxidants for rubber, synthetic resins, gasoline and oils.
font-kerning: 0pt; mso-bidi-font-family: Arial”>Uncertain number of stereocenters: 0
13 , Determine the number of stereocenters of chemical bonds: 0
14 , Uncertain number of chemical bond stereocenters: 0
15 , Number of covalent bond units: 1
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 4.7
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 2
6. Topological molecule polar surface area 23.5
7. Number of heavy atoms: 19
8. Surface charge: 0
9. Complexity: 261
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
This product should be sealed and stored in a cool, dry place.
Synthesis method
None yet
Purpose
Antioxidants for rubber, synthetic resins, gasoline and oils.
