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CAS 93952-11-5

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dibutyl phthalate-3,4,5,6-D4

Description:
Dibutyl phthalate-3,4,5,6-D4, with the CAS number 93952-11-5, is a deuterated form of dibutyl phthalate (DBP), which is an ester derived from phthalic acid and butanol. This compound is characterized by its molecular structure, which includes two butyl groups attached to the phthalate moiety, and the presence of deuterium isotopes at specific positions on the aromatic ring. As a phthalate, it is primarily used as a plasticizer to enhance the flexibility and durability of polymers, particularly in PVC. The deuterated version is often utilized in research and analytical chemistry, particularly in studies involving nuclear magnetic resonance (NMR) spectroscopy, where deuterium can provide insights into molecular dynamics and interactions. Dibutyl phthalate is known for its low volatility and moderate solubility in organic solvents, but it is also subject to regulatory scrutiny due to potential health and environmental concerns associated with phthalates. Overall, dibutyl phthalate-3,4,5,6-D4 serves both industrial and research purposes, particularly in the context of studying phthalate behavior and effects.
Formula:C16H18D4O4
InChI:InChI=1/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3/i7D,8D,9D,10D
SMILES:CCCCOC(=O)c1c(c(c(c(c1C(=O)OCCCC)[2H])[2H])[2H])[2H]
Synonyms:
  • dibutyl (2H4)benzene-1,2-dicarboxylate
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