Phthalic Acid-d4 1-Ethylpropyl Ester

• CAT Number: R022870
• CAS Number: NA
• Molecular Formula: C₁₃H₁₂D₄O₄
• Molecular Weight: 240.29
• Purity: ≥95%
• Synonyms: 1,2-Benzenedicarboxylic Acid-d4 1-(1-Ethylpropyl) Ester
• Storage: -20°C
• IUPAC Name: 2,3,4,5-tetradeuterio-6-pentan-3-yloxycarbonylbenzoic acid
• InChI: InChI=1S/C13H16O4/c1-3-9(4-2)17-13(16)11-8-6-5-7-10(11)12(14)15/h5-9H,3-4H2,1-2H3,(H,14,15)/i5D,6D,7D,8D
• InChIKey: GWSSHOOLMLNSKS-KDWZCNHSSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OC(CC)CC)[2H])[2H]

Phthalic Acid-d4 1-Ethylpropyl Ester（Cat No.:R022870） is a deuterated derivative of phthalic acid, where four deuterium atoms enhance its stability and analytical detectability, especially in mass spectrometry. This ester is used extensively in research for studying the degradation pathways and environmental impact of phthalate esters, commonly used as plasticizers. By incorporating deuterium, researchers can trace the compound’s behavior more accurately in complex systems, crucial for understanding its biodegradation and potential toxicity. This makes it an important tool in environmental chemistry for assessing pollution sources and developing safer chemical formulations.