Mono-5-carboxypentyl Phthalate-d4

• CAT Number: R063937
• CAS Number: NA
• Molecular Formula: C₁₄H₁₂D₄O₆
• Molecular Weight: 284.3
• Purity: ≥95%
• Synonyms: 1,2-Benzenedicarboxylic Acid 1-(5-carboxypentyl) Ester-d4; ?1,2-Benzenedicarboxylic Acid Mono(5-carboxypentyl) Ester-d4
• Storage: -20°C
• IUPAC Name: 2-(5-carboxypentoxycarbonyl)-3,4,5,6-tetradeuteriobenzoic acid
• InChI: InChI=1S/C14H16O6/c15-12(16)8-2-1-5-9-20-14(19)11-7-4-3-6-10(11)13(17)18/h3-4,6-7H,1-2,5,8-9H2,(H,15,16)(H,17,18)/i3D,4D,6D,7D
• InChIKey: QRHRDZGROXTDDX-ZDPIWEEJSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCCCCCC(=O)O)[2H])[2H]

Mono-5-carboxypentyl Phthalate-d4 is a deuterated analog of mono-5-carboxypentyl phthalate, where four hydrogen atoms are replaced with deuterium. This compound is particularly valuable in environmental and toxicological research, especially for studying the metabolism, environmental fate, and biological effects of phthalates, which are commonly used as plasticizers. The deuterium labeling allows for precise tracking and analysis using mass spectrometry, making Mono-5-carboxypentyl Phthalate-d4 essential for investigating the absorption, distribution, metabolism, and excretion (ADME) of phthalates in biological systems.