4-tert-butylphenyl salicylate
Structural formula
| Business number | 01XM |
|---|---|
| Molecular formula | C17H18O3 |
| Molecular weight | 270.32 |
| label |
2-Hydroxybenzoic acid-4-(1,1-dimethylethyl)phenyl ester, Salicylic acid p-tert-butylphenyl ester |
Numbering system
CAS number:87-18-3
MDL number:None
EINECS number:201-728-3
RTECS number:VO2020000
BRN number:None
PubChem ID:None
Physical property data
1. Character:White powder
2. Density (g/mL,25/4℃): Unsure
3. Relative vapor density (g/mL,AIR=1): Unsure
4. Melting point (ºC):62-64℃
5. Boiling point (ºC,Normal pressure): Unsure
6. Boiling point (ºC,5.2kPa): Unsure
7. Refractive index: Uncertain
8. Flash Point (ºC): Unsure
9. Specific rotation (º): Unsure
10. Autoignition point or ignition temperature (ºC): Unsure
11. Vapor pressure (kPa,25ºC): Unsure1, acute toxicity
Mouse caliber LD50: 2900mg/kg;Ecological data
None yet
Molecular structure data
1. Molar refractive index: 78.16 2. Molar volume (m3/mol）：237.9 3. isotonic specific volume (90.2K):607.7 4. Surface Tension (dyne/cm):42.5 5. Polarizability（10-24cm3):30.98
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 4
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 324
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
Stored in a sealed, cool, dry and protected from light.
Synthesis method
By salicylic acid with 4- Obtained from the reaction of tert-butylphenol. The reaction is carried out in the presence of phosphorus oxychloride.
Purpose
Plasticized Liu. Light absorber for food packaging plastics. Antioxidants.
so-list: Ignore”>5. Polarizability（10-24cm3):30.98
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): None
2. Number of hydrogen bond donors: 1
3. Number of hydrogen bond acceptors: 3
4. Number of rotatable chemical bonds: 4
5. Number of tautomers: 4
6. Topological molecule polar surface area 46.5
7. Number of heavy atoms: 20
8. Surface charge: 0
9. Complexity: 324
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
Stored in a sealed, cool, dry and protected from light.
Synthesis method
By salicylic acid with 4- Obtained from the reaction of tert-butylphenol. The reaction is carried out in the presence of phosphorus oxychloride.
Purpose
Plasticized Liu. Light absorber for food packaging plastics. Antioxidants.
