Isopentyl Pentyl Phthalate-d4

• CAT Number: R053097
• CAS Number: 1346600-89-2
• Molecular Formula: C18H26O4
• Molecular Weight: 310.426
• Purity: ≥95%
• Synonyms: 1,2-Benzenedicarboxylic Acid-d4 1-(3-Methylbutyl) 2-pentyl Ester; ?1,2-Benzenedicarboxylic Acid-d4 3-Methylbutyl Pentyl Ester
• Storage: -20°C
• IUPAC Name: 2-O-(3-methylbutyl) 1-O-pentyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate
• InChI: InChI=1S/C18H26O4/c1-4-5-8-12-21-17(19)15-9-6-7-10-16(15)18(20)22-13-11-14(2)3/h6-7,9-10,14H,4-5,8,11-13H2,1-3H3/i6D,7D,9D,10D
• InChIKey: MCXWUHMDAJQKBI-NECLWFIRSA-N
• SMILES: [2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCC)C(=O)OCCC(C)C)[2H])[2H]

Isopentyl Pentyl Phthalate-d4 is a deuterated analog of Isopentyl Pentyl Phthalate, a compound used primarily as a plasticizer in various industrial applications. The addition of four deuterium atoms enhances its utility in studying the metabolic pathways and environmental fate of phthalate esters. This labeled compound allows researchers to trace its distribution, degradation, and interaction within biological and environmental systems with greater accuracy. It is crucial for assessing the safety, persistence, and potential health impacts of phthalates in products and environments.