6-tert-butyl m-cresol
structural formula
| business number | 01zq |
|---|---|
| molecular formula | c11h16o |
| molecular weight | 164.24 |
| label |
5-methyl-2-(1,1-dimethylethyl)-5-phenol, 2-tert-butyl-5-cresol, 2-tert-butyl-5-methylphenol, 2-(1,1-dimethylethyl)-5-methylphenol |
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 (n20d)：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.
