n-Pentyl 3-Methyl-2-butyl Phthalate-d4

• CAT Number: R022882
• CAS Number: NA
• Molecular Formula: C₁₈H₂₂D₄O₄
• Molecular Weight: 310.42
• Purity: ≥95%
• Synonyms: 1,2-Benzenedicarboxylic Acid 1-Pentyl 2-(1,2-dimethylpropyl) Ester-d4
• Storage: -20°C
• IUPAC Name: 2-O-(3-methylbutan-2-yl) 1-O-pentyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
• InChI: InChI=1S/C18H26O4/c1-5-6-9-12-21-17(19)15-10-7-8-11-16(15)18(20)22-14(4)13(2)3/h7-8,10-11,13-14H,5-6,9,12H2,1-4H3/i7D,8D,10D,11D
• InChIKey: OIYLCPBEXPFWMY-LLDRQJGISA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCC)C(=O)OC(C)C(C)C)[2H])[2H]

n-Pentyl 3-Methyl-2-butyl Phthalate-d4 is a deuterated variant of a common phthalate ester, enhanced with four deuterium atoms. This isotopic labeling significantly improves its stability and makes it an excellent choice for trace analysis in environmental and biological samples using mass spectrometry or nuclear magnetic resonance (NMR). The compound is particularly useful in studies aimed at understanding the distribution, accumulation, and impact of phthalate esters in ecosystems and human health. n-Pentyl 3-Methyl-2-butyl Phthalate-d4 is crucial for researchers in environmental science and toxicology, providing precise and reliable analytical results in the detection and quantification of phthalate pollutants.