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.
