Toluene diisocyanate manufacturer Knowledge 4-tert-butylphenyl salicylate

4-tert-butylphenyl salicylate

Structural formula of 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. Polarizability10-24cm3):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. Polarizability10-24cm3):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.

This article is from the Internet, does not represent the position of Toluene diisocyanate reproduced please specify the source.https://www.chemicalchem.com/archives/28305

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