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Reference substances

Reference substances

Currently viewing:
IUPAC name:
1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich

Inventory

EC number:
271-090-9
EC name:
1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich
CAS number:
68515-48-0
CAS number:
68515-48-0
Synonyms
Names:
1,2-Benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich
1,2-benzenedicarboxylic acid, di-C8-10-branched alkyl esters, C9-rich
Di-isononyl phthalate
Di-isononyl phthalate
Identifier:
IUPAC name
1,2-benzenedicarboxylic acid, di-C8-C10-branched alkyl esters, C9 rich
Identifier:
IUPAC name
Not available, not a single isomer
Identifier:
IUPAC name
bis(7-methyloctyl) phthalate
Identifier:
other: Molecular formula
(CH2)4-6(CH2)4-6C16H22O4
Identifier:
other: Molecular formula
C26H42O4
Identifier:
other: SMILES notation
CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
Identifier:
other: SMILES notation
CCC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)CC
Identifier:
other: InChl
InChI=1/C18H26O4/c1-5-13(3)11-21-17(19)15-9-7-8-10-16(15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
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

Molecular and structural information

Molecular formula:
C26 H42 O4
Molecular weight:
ca. 418.1
SMILES notation:
O=C(c1ccccc1C(=O)OCCCCCC(C)(C)C)OCCCCCC(C)(C)C
InChl:
Not applicable
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
28553-12-0