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Back ChemicalBook Home>CAS DataBase List>128-37-0More Spectrum> Butylated Hydroxytoluene(128-37-0) IR2

Butylated Hydroxytoluene(128-37-0) IR2

Molecular FormulaC15H24O

Molecular Weight220.35

InChIInChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3

InChIKey NLZUEZXRPGMBCV-UHFFFAOYSA-N

SmilesC1(O)=C(C(C)(C)C)C=C(C)C=C1C(C)(C)C


  • Mass

    MS-NW-0278          
    2,6-di-tert-butyl-p-cresol
    C15H24O             (Mass of molecular ion:    220)
    

       Source Temperature: 110 °C
       Sample Temperature:   0 °C
       Direct, 75 eV
    

          29.0       2.5
          39.0       1.4
          41.0       4.7
          55.0       3.0
          57.0      10.1
          65.0       1.0
          67.0       3.0
          77.0       1.7
          79.0       1.1
          81.0       5.0
          91.0       2.8
          95.0       3.5
         105.0       3.5
         115.0       1.9
         117.0       1.0
         119.0       2.1
         121.0       1.3
         128.0       1.5
         129.0       1.6
         131.0       2.0
         133.0       1.2
         141.0       1.1
         145.0       6.3
         149.0       1.1
         161.0       1.8
         163.0       1.4
         177.0       3.6
         189.0       2.6
         205.0     100.0
         206.0      15.7
         207.0       1.3
         220.0      42.0
         221.0       7.0
    

90 MHz in CDCl3


  • 1H NMR 89.56 MHz
    C15 H24 O 0.043 g : 0.5 ml CDCl3
    2,6-di-tert-butyl-p-cresol
    ChemicalStructure
        Assign.     Shift(ppm)
    A 6.97 B 4.99 C 2.27 D 1.430

         Hz     ppm     Int.
    

        624.31   6.971     54
        446.44   4.985     54
        203.63   2.274     63
        203.00   2.267    119
        202.38   2.260     76
        129.75   1.449     28
        128.06   1.430   1000
    

in CDCl3



CCl4 solution



KBr disc



liquid film



nujol mull



4880 A,200 M,powder



OXIDATION WITH PBO2 IN THF

CATION RADICAL, OXIDATION WITH ALCL3 IN CH2CL2

OXIDATION WITH AIR IN ALKALINE ACETONE

OXID. WITH DTBPOX IN BENZENE









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