CAS 113104-27-1

2-(3-Methylphenoxy)butanoic acid

Description:

2-(3-Methylphenoxy)butanoic acid, with the CAS number 113104-27-1, is an organic compound characterized by its butanoic acid backbone substituted with a 3-methylphenoxy group. This compound typically appears as a white to off-white solid and is soluble in organic solvents, reflecting its hydrophobic nature due to the aromatic ring. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification and amidation. Its structure suggests potential applications in agrochemicals, particularly as a herbicide or plant growth regulator, due to its ability to interact with plant hormone pathways. Additionally, the compound may exhibit biological activity, making it of interest in pharmaceutical research. Safety and handling precautions should be observed, as with many organic compounds, to mitigate any potential health risks. Overall, 2-(3-Methylphenoxy)butanoic acid represents a versatile chemical with implications in both agricultural and medicinal chemistry.

Formula: C₁₁H₁₄O₃

InChI: InChI=1S/C11H14O3/c1-3-10(11(12)13)14-9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3,(H,12,13)

InChI key: InChIKey=IGGVSFFAZIAGTA-UHFFFAOYSA-N

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

Synonyms:

• 2-m-Tolyloxy-butyric acid
• 2-(3-Methylphenoxy)butanoic acid
• Butanoic acid, 2-(3-methylphenoxy)-

2-(3-Methylphenoxy)butanoic acid

CAS: 113104-27-1

Versatile small molecule scaffold

Formula: C₁₁H₁₄O₃

Purity: Min. 95%

Molecular weight: 194.23 g/mol

Ref: 3D-NEA10427