CAS 113104-28-2

2-[4-(1,1-Dimethylethyl)phenoxy]butanoic acid

Description:

2-[4-(1,1-Dimethylethyl)phenoxy]butanoic acid, commonly referred to as a herbicide, is characterized by its structure which includes a butanoic acid moiety linked to a phenoxy group that is further substituted with a tert-butyl group. This compound typically exhibits properties such as being a white to off-white solid at room temperature, with moderate solubility in organic solvents and limited solubility in water. It functions primarily as a selective herbicide, targeting specific plant species while minimizing effects on others, making it valuable in agricultural applications. The presence of the tert-butyl group enhances its lipophilicity, aiding in its absorption and translocation within plant systems. Additionally, it may exhibit moderate to low toxicity to non-target organisms, which is an important consideration in its application. As with many chemical substances, proper handling and adherence to safety guidelines are essential to mitigate any potential environmental or health risks associated with its use.

Formula: C₁₄H₂₀O₃

InChI: InChI=1S/C14H20O3/c1-5-12(13(15)16)17-11-8-6-10(7-9-11)14(2,3)4/h6-9,12H,5H2,1-4H3,(H,15,16)

InChI key: InChIKey=WUEFGQXWIWCINJ-UHFFFAOYSA-N

SMILES: C(C)(C)(C)C1=CC=C(OC(C(O)=O)CC)C=C1

Synonyms:

• 2-(4-tert-Butylphenoxy)butanoic acid
• Butanoic acid, 2-[4-(1,1-dimethylethyl)phenoxy]-
• 2-(4-tert-Butyl-phenoxy)-butyric acid
• 2-[4-(1,1-Dimethylethyl)phenoxy]butanoic acid