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The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

Diss Factsheets

Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,2-bis(7-methyloctyl) benzene-1,2-dicarboxylate

Inventory

EC number:
249-079-5
EC name:
Di-''isononyl'' phthalate
CAS number:
28553-12-0
CAS number:
28553-12-0
Synonyms
Names:
1,2-Benzenedicarboxylic acid, diisononyl ester
bis(3,5-dimethylheptyl) phthalate (Only one isomer is represented here for the sake of simplicity)
Identifier:
IUPAC name
1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester
Identifier:
IUPAC name
1,2-Benzenedicarboxylic acid, di-C8-10 branched alkylesters, C9 rich
Identifier:
IUPAC name
1,2-benzenedicarboxylic acid, di-isononyl ester
Identifier:
IUPAC name
1,2-bis(7-methyloctyl) benzene-1,2-dicarboxylate
Identifier:
IUPAC name
Bis (7-methyloctyl) benzene-1,2-dicarboxylate
Identifier:
IUPAC name
Di-"isononyl" phthalate
Identifier:
IUPAC name
bis(7-methyloctyl) phthalate
Identifier:
other: SMILES notation
CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C
Identifier:
other: SMILES notation
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
Identifier:
other: SMILES notation
CC(C)​CCCCCCOC(=O)​c1ccccc1C(=O)​OCCCCCCC(C)​C
Identifier:
other: SMILES notation
CCCCCCC(C)COC(=O)c1ccccc1C(=O)OCC(C)CCCCCC
Identifier:
other: Abbreviation
DINP
Identifier:
other: InChl
InChI=1/C26H42O4/c1-19(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/h9-12,19-20H,13-18H2,1-8H3
Identifier:
other: InChl
InChI=1/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
Identifier:
other: InChl
InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3
Identifier:
other: InChl
InChI=1S/​C26H42O4/​c1-​21(2)15-​9-​5-​7-​13-​19-​29-​25(27)23-​17-​11-​12-​18-​24(23)26(28)30-​20-​14-​8-​6-​10-​16-​22(3)4/​h11-​12,​17-​18,​21-​22H,​5-​10,​13-​16,​19-​20H2,​1-​4H3
Identifier:
other: SMILES notation
Not available: UVCB substance
Identifier:
other: SMILES notation
O=C(OCCC(C)CC(C)(C)C)c1ccccc1C(=O)OCCC(C)CC(C)(C)C
Identifier:
other: SMILES notation
O=C(c1ccccc1C(=O)OCCCCCCC(C)C)OCCCCCCC(C)C
Di-isononylphthalate

Molecular and structural information

Molecular formula:
C26H42O4
Molecular weight:
418.609
SMILES notation:
CC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CC
InChl:
Not applicable
Structural formula:
Chemical structure

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