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CAS 36837-50-0

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Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate

Description:
Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate, also known by its CAS number 36837-50-0, is an organic compound characterized by its ester functional group. This substance features a propanoate moiety linked to a hydroxy-substituted aromatic ring, specifically a tert-butyl group at the 3-position of the benzene ring. The presence of the hydroxy group contributes to its potential as a phenolic compound, which may exhibit antioxidant properties. The molecular structure suggests moderate lipophilicity due to the bulky tert-butyl group, influencing its solubility and reactivity. This compound may be utilized in various applications, including as a fragrance or flavoring agent, and could also have implications in the field of pharmaceuticals or agrochemicals. Its stability and reactivity can be affected by environmental conditions, and it is essential to handle it with care, following appropriate safety protocols. As with many organic compounds, its behavior in biological systems and potential toxicity would require further investigation to fully understand its implications.
Formula:C14H20O3
InChI:InChI=1S/C14H20O3/c1-14(2,3)11-9-10(5-7-12(11)15)6-8-13(16)17-4/h5,7,9,15H,6,8H2,1-4H3
InChI key:InChIKey=TVUZOWCUYWPFPN-UHFFFAOYSA-N
SMILES:C(CC(OC)=O)C1=CC(C(C)(C)C)=C(O)C=C1
Synonyms:
  • 3-(3-tert-Butyl-4-hydroxyphenyl)propionic acid methyl ester
  • Benzenepropanoic acid, 3-(1,1-dimethylethyl)-4-hydroxy-, methyl ester
  • Methyl 3-(1,1-dimethylethyl)-4-hydroxybenzenepropanoate
  • Methyl 3-(3-tert-butyl-4-hydroxyphenyl)propionate
  • Methyl 3-tert-butyl-4-hydroxyhydrocinnamate
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