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CAS 1246213-29-5

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5-(1,1-Dimethylethyl)-β,β-dimethyl-2-(phenylmethoxy)benzeneethanol

Description:
5-(1,1-Dimethylethyl)-β,β-dimethyl-2-(phenylmethoxy)benzeneethanol, identified by its CAS number 1246213-29-5, is a chemical compound that belongs to the class of organic compounds known as phenolic compounds. This substance features a complex structure characterized by a benzene ring substituted with various functional groups, including a phenylmethoxy group and a tertiary butyl group. The presence of multiple methyl groups contributes to its hydrophobic nature, which may influence its solubility in organic solvents rather than in water. The compound's structure suggests potential applications in fields such as pharmaceuticals, agrochemicals, or as a specialty chemical due to its unique properties. Additionally, the presence of the alcohol functional group indicates that it may exhibit hydrogen bonding capabilities, which could affect its reactivity and interactions with other molecules. Overall, this compound's specific characteristics, including its molecular weight, boiling point, and reactivity, would be essential for understanding its behavior in various chemical contexts.
Formula:C21H28O2
InChI:InChI=1S/C21H28O2/c1-20(2,3)17-11-12-19(18(13-17)21(4,5)15-22)23-14-16-9-7-6-8-10-16/h6-13,22H,14-15H2,1-5H3
InChI key:InChIKey=YLTXIQKPVBXYLH-UHFFFAOYSA-N
SMILES:C(CO)(C)(C)C1=C(OCC2=CC=CC=C2)C=CC(C(C)(C)C)=C1
Synonyms:
  • Benzeneethanol, 5-(1,1-dimethylethyl)-β,β-dimethyl-2-(phenylmethoxy)-
  • 5-(1,1-Dimethylethyl)-β,β-dimethyl-2-(phenylmethoxy)benzeneethanol
  • 2-(2-(Benzyloxy)-5-tert-butylphenyl)-2-methylpropan-1-ol
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