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Reference substances

Reference substances

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General information

Inventory

EC number:
229-176-9
EC name:
Bis(2-ethylhexyl) terephthalate
CAS number:
6422-86-2

No inventory information available

Reference substance information

IUPAC name:
1,4-bis(2-ethylhexyl) benzene-1,4-dicarboxylate
Synonyms
Names:
1,4-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
Identifier:
CAS number
6422-86-2
Identifier:
common name
DOTP
Identifier:
other: SMILES notation
CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Identifier:
other: SMILES notation
CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OCC(CC)CCCC
Identifier:
other: InChl
InChI=1S/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
bis(2-ethylhexyl) terephthalate

CAS information

CAS number:
6422-86-2

Molecular and structural information

Molecular formula:
C24H38O4
Molecular weight:
390.556
SMILES notation:
CCCCC(CC)COC(=O)c1ccc(cc1)C(=O)OCC(CC)CCCC
InChl:
InChI=1/C24H38O4/c1-5-9-11-19(7-3)17-27-23(25)21-13-15-22(16-14-21)24(26)28-18-20(8-4)12-10-6-2/h13-16,19-20H,5-12,17-18H2,1-4H3
Structural formula:
Chemical structure