CAS 4165-99-5

3-(1-Methylethyl)pentanedioic acid

Description:

3-(1-Methylethyl)pentanedioic acid, also known as diethylmalonic acid, is a dicarboxylic acid characterized by its two carboxyl (-COOH) functional groups attached to a five-carbon chain. This compound features a branched alkyl group, specifically an isopropyl group, at the third carbon of the pentanedioic acid backbone. It is a colorless to pale yellow solid that is soluble in water and organic solvents, making it versatile for various chemical applications. The presence of two carboxylic acid groups allows for the formation of esters and amides, facilitating its use in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. Additionally, its structure contributes to its reactivity, particularly in condensation reactions and as a building block for more complex molecules. The compound is typically handled with care due to its acidic nature, and safety data sheets should be consulted for proper handling and disposal guidelines.

Formula: C₈H₁₄O₄

InChI: InChI=1S/C8H14O4/c1-5(2)6(3-7(9)10)4-8(11)12/h5-6H,3-4H2,1-2H3,(H,9,10)(H,11,12)

InChI key: InChIKey=UCKCQQMLUHXLCR-UHFFFAOYSA-N

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

Synonyms:

• 3-(1-Methylethyl)glutaric acid
• 3-(1-Methylethyl)pentanedioic acid
• 3-(Propan-2-Yl)Pentanedioic Acid
• 3-Isopropylpentanedioic acid
• Glutaric acid, 3-isopropyl-
• Pentanedioic acid, 3-(1-methylethyl)-
• beta-Isopropylglutaric acid
• β-Isopropylglutaric acid
• 3-Isopropylglutaric acid

3-(Propan-2-yl)pentanedioic acid

CAS: 4165-99-5

3-(Propan-2-yl)pentanedioic acid is an oxidation product of α-pinene, β-caryophyllene, and isoprene. It has been used as a tracer in gas chromatography/mass spectrometry to identify the sources of carboxylic acids in tobacco smoke. The compound has also been used as an analytical standard for carboxylic acids and lactones. 3-(Propan-2-yl)pentanedioic acid is found in high concentrations in aerosols from e-cigarettes, which have been shown to contain other compounds that may be harmful to health.

Formula: C₈H₁₄O₄

Purity: Min. 95%

Molecular weight: 174.19 g/mol

Ref: 3D-EAA16599