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CAS 13402-96-5

:

2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid

Description:
2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid, with the CAS number 13402-96-5, is a chemical compound that belongs to the class of phenoxyacetic acids. This substance is characterized by its phenolic structure, which features a phenoxy group substituted with two bulky 1,1-dimethylpropyl groups at the 2 and 4 positions, contributing to its lipophilicity and potential biological activity. The presence of the acetic acid moiety imparts acidic properties, allowing it to participate in various chemical reactions, including esterification and salt formation. This compound is often studied for its herbicidal properties, as it can interact with plant growth regulators. Its molecular structure suggests that it may exhibit significant steric hindrance, influencing its reactivity and interaction with biological targets. Additionally, the compound's stability, solubility, and environmental persistence are important factors in its application and regulatory considerations. Overall, 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid is notable for its unique structural features and potential utility in agricultural chemistry.
Formula:C18H28O3
InChI:InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)
InChI key:InChIKey=QXQMENSTZKYZCE-UHFFFAOYSA-N
SMILES:C(CC)(C)(C)C1=C(OCC(O)=O)C=CC(C(CC)(C)C)=C1
Synonyms:
  • (2,4-Di-tert-pentylphenoxy)acetic acid
  • 2,4-Bis(1,1-dimethylpropyl)phenoxyacetic acid
  • 2,4-Di-tert-amylphenoxyacetic acid
  • 2-(2,4-Di-tert-amylphenoxy)acetic acid
  • 2-(2,4-Di-tert-pentylphenoxy)acetic acid
  • 2-(2,4-Di-tert-pentylphenoxy)aceticacid
  • 2-[2,4-Bis(1,1-dimethylpropyl)phenoxy]acetic acid
  • 2-[2,4-Bis(2-methylbutan-2-yl)phenoxy]acetic acid
  • Acetic acid, (2,4-di-tert-pentylphenoxy)-
  • Acetic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
  • See more synonyms
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