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
• 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.