Monopropyl Phthalate-d4

• CAT Number: R054126
• CAS Number: 1795020-91-5
• Molecular Formula: C11H12O4
• Molecular Weight: 212.237
• Purity: ≥95%
• Synonyms: 1,2-(Benzene-d4)dicarboxylic Acid 1-Propyl Ester; 1,2-(Benzene-d4)dicarboxylic Acid Monopropyl Ester; Phthalic Acid-d4 Monopropyl Ester; Phthalic Acid-d4 Propyl Ester; Mono-n-propyl phthalate-d4; NSC 309966-d4
• Storage: -20°C
• IUPAC Name: 2,3,4,5-tetradeuterio-6-propoxycarbonylbenzoic acid
• InChI: InChI=1S/C11H12O4/c1-2-7-15-11(14)9-6-4-3-5-8(9)10(12)13/h3-6H,2,7H2,1H3,(H,12,13)/i3D,4D,5D,6D
• InChIKey: NFOQRIXSEYVCJP-LNFUJOGGSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)O)C(=O)OCCC)[2H])[2H]

Monopropyl Phthalate-d4 is a deuterium-labeled derivative of monopropyl phthalate, a compound used as a plasticizer in various industrial applications. The deuterium labeling allows for precise tracking and quantification in analytical studies, especially using mass spectrometry. This compound is useful in environmental and toxicological research to study the fate and transport of plasticizers, their degradation products, and their impact on human health and ecosystems. It helps in assessing exposure levels, understanding metabolism, and developing regulations for safe usage in consumer products and industrial processes.