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CAS 93952-13-7

:

1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester

Description:
1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester, also known by its CAS number 93952-13-7, is a chemical compound characterized by its structure, which includes a benzene ring substituted with two carboxylic acid groups and two dioctyl ester groups. The presence of deuterium (d4) indicates that the compound contains four deuterium atoms, which are isotopes of hydrogen, enhancing its stability and altering its physical properties compared to its non-deuterated counterparts. This compound is typically used in various applications, including as a plasticizer in polymers and as a solvent in chemical processes. Its ester groups contribute to its hydrophobic nature, making it less soluble in water but more compatible with organic solvents. The presence of the benzene ring provides aromatic stability, while the dicarboxylic acid functionality allows for potential interactions with other chemical species. Overall, this compound exhibits characteristics typical of aromatic esters, including moderate volatility and a relatively high boiling point, making it suitable for industrial applications.
Formula:C24H34D4O4
InChI:InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3/i13D,14D,17D,18D
InChI key:InChIKey=MQIUGAXCHLFZKX-AMEAAFLOSA-N
SMILES:C(OCCCCCCCC)(=O)C1=C(C(OCCCCCCCC)=O)C(=C(C(=C1[2H])[2H])[2H])[2H]
Synonyms:
  • 1,2-Benzene-3,4,5,6-d<sub>4</sub>-dicarboxylic acid, dioctyl ester
  • Di-n-octyl phthalate-3,4,5,6-d4
  • dioctyl (2H4)benzene-1,2-dicarboxylate
  • 1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester
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