Diisononyl cyclohexanedicarboxylate (mixture of isomers)

Name: Diisononyl cyclohexanedicarboxylate (mixture of isomers)
SKU: ACM508181382-1
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Catalog NumberACM508181382-1

CAS Number508181-38-2

CategoryPlastic Additives

Synonyms

Cyclohexanedicarboxylic acid diisononyl ester

IUPAC Name

Bis(3,5,5-trimethylhexyl) cyclohexane-1,2-dicarboxylate;bis(3,5,5-trimethylhexyl) cyclohexane-1,3-dicarboxylate;bis(3,5,5-trimethylhexyl) cyclohexane-1,4-dicarboxylate

Molecular Weight

1274

Molecular Formula

C78H144O12

Canonical SMILES

CC(CCOC(=O)C1CCC(CC1)C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C.CC(CCOC(=O)C1CCCC(C1)C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C.CC(CCOC(=O)C1CCCCC1C(=O)OCCC(C)CC(C)(C)C)CC(C)(C)C

InChI

InChI=1S/3C26H48O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-9-11-22(12-10-21)24(28)30-16-14-20(2)18-26(6,7)8;1-19(17-25(3,4)5)12-14-29-23(27)21-10-9-11-22(16-21)24(28)30-15-13-20(2)18-26(6,7)8;1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h3*19-22H,9-18H2,1-8H3

InChI Key

QSNOUBLJFWGBSD-UHFFFAOYSA-N

Density

0.94 g/mL

Complexity

1430

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

Exact Mass

1273.06578002

Formal Charge