Marvin  04190615112D          

 16 16  0  0  0  0            999 V2000
   -1.0895    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3395    0.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    1.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750    2.0875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -0.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3750   -1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3395    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0895    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7684    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0539    1.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7684    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039    2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5184    1.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039    1.2625    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.5184    0.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  8  1  0  0  0  0
  3  7  2  0  0  0  0
  8  1  2  0  0  0  0
  1  5  1  0  0  0  0
  5  2  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  5  6  1  0  0  0  0
  7 11  1  0  0  0  0
  8 15  1  0  0  0  0
 11  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11 12  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 16  1  0  0  0  0
M  END
> <ID>
CHEBI:34247

> <NAME>
2,6-di-tert-butyl-4-methylphenol

> <DEFINITION>
A member of the class of  phenols that is 4-methylphenol substituted by tert-butyl groups at positions 2 and 6.

> <STAR>
3

> <SYNONYM>
o-di-tert-butyl-p-methylphenol; FEMA 2184; butylhydroxytoluene; butylated hydroxytoluene; BHT; 2,6-di-tert-butyl-p-cresol; 2,6-di-tert-butyl-4-methylhydroxybenzene; 2,6-di-tert-butyl-4-hydroxytoluene; 2,6-di-tert-butyl-4-cresol; 2,6-di-tert-butyl-1-hydroxy-4-methylbenzene; 2,6-di-t-butyl-p-cresol; 2,6-di-t-butyl-4-methylphenol; 2,6-bis(1,1-dimethylethyl)-4-methylphenol; 1-hydroxy-4-methyl-2,6-di-tert-butylbenzene

> <IUPAC_NAME>
2,6-di-tert-butyl-4-methylphenol

> <FORMULA>
C15H24O

> <MASS>
220.35046

> <MONOISOTOPIC_MASS>
220.18272

> <CHARGE>
0

> <SMILES>
Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C

> <INCHI>
InChI=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

> <CAS_REGISTRY_NUMBER>
128-37-0

> <REAXYS_REGISTRY_NUMBER>
1911640

> <CHEMIDPLUS>
128-37-0

> <KEGG_COMPOUND_ACCESSION>
C14693

> <KEGG_DRUG_ACCESSION>
D02413

> <LINCS_ACCESSION>
LSM-19020

> <NIST_CHEMISTRY_WEBBOOK>
128-37-0

> <WIKIPEDIA_ACCESSION>
Butylated_hydroxytoluene

> <PUBMED_CITATION>
11837686; 24612426; 24617543; 29864697; 31029976; 31780362; 32304926; 32322261; 32387881; 32397407; 32963880; 33039371; 33091556; 33519739; 33792845; 34013795; 34041400; 34443068; 448040

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