4-tert-butylphenyl salicylate

structural formula

• 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: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.