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Substance Name: 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-3-methyl-
RN: 83677-18-3
InChIKey: XVJKSGJGHGOBSI-FMIVXFBMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C19-H28-O2

Molecular Weight

  • 288.4282
 
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Names and Synonyms

Synonyms

  • 4-(3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl)-3-methyl-3-buten-2-one
  • beta-Acetyl-beta-methyl-3,5-di-tert-butyl-4-hydroxystyrene

Systematic Name

  • 3-Buten-2-one, 4-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-3-methyl-

Registry Numbers

CAS Registry Number

  • 83677-18-3

System Generated Number

  • 0083677183

Structure Descriptors

InChI

1S/C19H28O2/c1-12(13(2)20)9-14-10-15(18(3,4)5)17(21)16(11-14)19(6,7)8/h9-11,21H,1-8H3/b12-9+

InChIKey

XVJKSGJGHGOBSI-FMIVXFBMSA-N

Smiles

C/C(=C\c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)/C(=O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral > 1gm/kg (1000mg/kg)   European Patent Application. Vol. #0057881,