2-Ethylbutyric Acid

CAS: 88-09-5

Ref. TR-E678445

Product Information

• Name: 2-Ethylbutyric Acid
• Synonyms: Butanoic acid, 2-ethyl- (9CI, ACI), 2-Ethylbutanoic acid (ACI), Butyric acid, 2-ethyl- (6CI, 7CI, 8CI), Butyric acid, α-ethyl- (3CI), 2-Ethyl-n-butyric acid, 3-Pentanecarboxylic acid, Acetic acid, diethyl-, Diethylacetic acid, NSC 11765, NSC 8758
• Brand: TRC
• Description: Applications 2-Ethylbutyric Acid is used in biological studies as a possible descriptor for toxicity prediction through electrophilicity. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Roy, D.R., et al.: Bioorg. Med. Chem., 13, 3405 (2005); Parthasarathi, R., et al.: J. Phys. Chem. A., 107, 10346 (2003)

Chemical properties

• Molecular weight: 116.16
• Formula: C₆H₁₂O₂
• Color/Form: Colourless
• InChI: InChI=1S/C6H12O2/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
• InChI key: InChIKey=OXQGTIUCKGYOAA-UHFFFAOYSA-N
• SMILES: CCC(CC)C(=O)O