4,4′-Isopropylidene(2-tert-butylphenol) 4,4′-Isopropylidenebis(2-t-butylphenol)
Structural formula
| Business number | 01QB |
|---|---|
| Molecular formula | C23H32O2 |
| Molecular weight | 340.5 |
| label |
None yet |
Numbering system
CAS number:79-96-9
MDL number:None
EINECS number:201-239-5
RTECS number:None
BRN number:None
PubChem ID:None
Physical property data
1. Physical property data
1. Character: Uncertain.
2. Density (g/mL,25/4℃): Unsure
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): Unsure
9. Specific optical rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure
12. 17. Explosion upper limit (%,V/V): Unsure
18. Lower explosion limit (%,V/V): Unsure
19. Solubility: Uncertain.
Toxicological data
1, acute toxicity
Mouse abdominal cavity LD50: 40mg/kg;
Ecological data
None yet
Molecular structure data
5. Molecular property data:
1. Molar refractive index: 104.94
2. Molar volume (m3/mol）：332.9
3. isotonic specific volume (90.2K):815.8
4. Surface Tension (dyne/cm):36.0
5. Polarizability（10-24cm3):41.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 7.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 5
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 25
8. Surface charge: 0
9. Complexity: 400
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
ast-font-family: Arial”>1. Moore refraction Rate: 104.94
2. Molar volume (m3/mol）：332.9
3. isotonic specific volume (90.2K):815.8
4. Surface Tension (dyne/cm):36.0
5. Polarizability（10-24cm3):41.60
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 7.4
2. Number of hydrogen bond donors: 2
3. Number of hydrogen bond acceptors: 2
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 5
6. Topological molecule polar surface area 40.5
7. Number of heavy atoms: 25
8. Surface charge: 0
9. Complexity: 400
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
