6-tert-butyl m-cresol

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:88-60-8

mdl number:mfcd00002308

einecs number:201-842-3

rtecs number:sk1578180

brn number:1908225

pubchem number:24892153

physical property data

1. properties: needle-like crystals.

2. density (g/ml, 25/4℃): 0.922

3. relative vapor density (g/ml, air=1): 0.964

4. melting point (ºc): 46-47

5. boiling point (ºc, normal pressure): 244; 127ºc (1466pa)

6. boiling point (ºc): 127 ℃ (1.46kpa), 117-118℃ (1.6kpa) has also been reported

7. refractive index _(n²⁰_d)：1.5182

8. flash point (ºc): 105

9. specific rotation (º): undetermined

10. autoignition point or ignition temperature (ºc): not determined

11. vapor pressure (kpa, 25ºc): not determined

12. saturated vapor pressure (kpa, 60ºc): not determined

13. heat of combustion (kj/mol): undetermined

14. critical temperature (ºc): undetermined

15. critical pressure (kpa): undetermined

16. log value of oil-water (octanol/water) partition coefficient: undetermined

17. explosion upper limit (%, v/v): undetermined

18. lower explosion limit (%, v/v): undetermined

19. solubility: soluble in ethanol, acetone, ethyl acetate and carbon disulfide, slightly soluble in benzene, gasoline, insoluble in water.

toxicological data

none

ecological data

none

molecular structure data

1. molar refractive index: 51.34

2. molar volume (cm³/mol): 170.8

3. isotonic specific volume (90.2k ): 407.9

4. surface tension (dyne/cm): 32.5

5. polarizability (10-24cm3): 20.35

compute chemical data

1. reference value for hydrophobic parameter calculation (xlogp): none

2.�number of � bond donors: 1

3. number of hydrogen bond acceptors: 1

4. number of rotatable chemical bonds: 1

5. mutator variation number of structures: 9

6. topological molecule polar surface area 20.2

7. number of heavy atoms: 12

8. surface charge: 0

9. complexity: 146

10. number of isotope atoms: 0

11. determine the number of atomic stereocenters: 0

12. the number of uncertain stereocenters of atoms: 0

13. the number of determined stereocenters of chemical bonds: 0

14. the number of uncertain stereocenters of chemical bonds: 0

15. number of covalent bond units: 1

properties and stability

1. exist in mainstream smoke.

storage method

this product should be sealed and stored in a cool, dry place.

synthesis method

obtained from the reaction of m-cresol and isobutylene in the presence of aluminum trichloride. the reaction is carried out in concentrated sulfuric acid at a reaction temperature of 310-320°c. after the reaction is completed, the finished product is obtained through neutralization and distillation.

purpose

organic synthesis intermediates. used to produce phenolic antioxidant ca, antioxidant 300, and antioxidant bbm.