25988-63-0 Purity
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Specification
The molecular formula of Diethylhexyl isophthalate is C24H38O4.
The synonyms for Diethylhexyl isophthalate are Diethylhexyl isophthalate, dioctan-3-yl isophthalate, SCHEMBL9853239, and MFCD00152284.
The molecular weight of Diethylhexyl isophthalate is 390.6 g/mol.
The IUPAC name of Diethylhexyl isophthalate is dioctan-3-yl benzene-1,3-dicarboxylate.
The InChI of Diethylhexyl isophthalate is InChI=1S/C24H38O4/c1-5-9-11-16-21(7-3)27-23(25)19-14-13-15-20(18-19)24(26)28-22(8-4)17-12-10-6-2/h13-15,18,21-22H,5-12,16-17H2,1-4H3.
The InChIKey of Diethylhexyl isophthalate is HJRBRVSWKNUUCW-UHFFFAOYSA-N.
The canonical SMILES of Diethylhexyl isophthalate is CCCCCC(CC)OC(=O)C1=CC(=CC=C1)C(=O)OC(CC)CCCCC.
The XLogP3-AA value of Diethylhexyl isophthalate is 8.2.
Diethylhexyl isophthalate has 0 hydrogen bond donor counts.
Diethylhexyl isophthalate has 4 hydrogen bond acceptor counts.