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Reference substances

Reference substances

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

Inventory

EC number:
258-469-4
EC name:
Bis(2-propylheptyl) phthalate
CAS number:
53306-54-0
CAS number:
53306-54-0
Synonyms
Names:
1,2-Benzenedicarboxylic acid, bis(2-propylheptyl) ester
Identifier:
IUPAC name
bis(2-propylheptyl) benzene-1,2-dicarboxylate
Identifier:
ChemSpider ID
CSID:83367
Identifier:
common name
1,2-benze​nedicarbo​xylic aci​d, bis(2-​propylhep​tyl) ester
Identifier:
common name
Di-2-propylheptyl phthalate
Identifier:
common name
Phthalic acid, bis(2-propylheptyl) ester
Identifier:
PubChem
CID=92344
Identifier:
other: SMILES notation
CCCCCC(CCC)COC(=O)C1=CC=CC=C1C(=O)OCC(CCC)CCCCC
Identifier:
other: InChl
InChI=1S/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
bis(2-propylheptyl) phthalate

Molecular and structural information

Molecular formula:
C28H46O4
Molecular weight:
446.662
SMILES notation:
CCCCCC(CCC)COC(=O)c1ccccc1C(=O)OCC(CCC)CCCCC
InChl:
InChI=1/C28H46O4/c1-5-9-11-17-23(15-7-3)21-31-27(29)25-19-13-14-20-26(25)28(30)32-22-24(16-8-4)18-12-10-6-2/h13-14,19-20,23-24H,5-12,15-18,21-22H2,1-4H3
Structural formula:
Chemical structure

Related substances

Identifier:
CAS number
Identity:
1013020-51-3