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Reference substances

Reference substances

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General information

Inventory

EC number:
204-211-0
EC name:
Bis(2-ethylhexyl) phthalate
CAS number:
117-81-7

No inventory information available

Reference substance information

IUPAC name:
1,2-bis(2-ethylhexyl) benzene-1,2-dicarboxylate
Synonyms
Names:
1,2-Benzenedicarboxylic acid bis(2-ethyl-hexyl) ester
1,2-Benzenedicarboxylic acid, 1,2-bis(2-ethylhexyl) ester
1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester
1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) esterVAN
2-ethylhe​xyl phtha​late
Bis(2-eth​ylhexyl) ​1,2-benze​nedicarbo​xylate
DEHP 1,2-Benzenedicarboxylic acid, bis(2-ethylhexyl) ester Bis(2-ethylhexyl) 1,2-benzenedicarboxylate Bis(2-ethylhexyl) o-phthalate Bis(2-ethylhexyl) phthalate Di(2-ethylhexyl) phthalate Dioctyl phthalate DOP (pseudo-synonym, incl. also other isomeric forms of the alcohol part) Phthalic acid dioctyl ester Phthalic acid, bis(2-ethylhexyl) ester
Di(2-Ethy​lhexyl ph​thalate)
Di-(2-ethylhexyl)phthalate DEHP
Diethylhexyl phthalate
Phthalic acid, bis(2-ethylhexyl) ester
Identifier:
CAS number
109630-52-6
Identifier:
CAS number
117-81-7
Identifier:
CAS number
126639-29-0
Identifier:
CAS number
137718-37-7
Identifier:
CAS number
205180-59-2
Identifier:
CAS number
275818-89-8
Identifier:
CAS number
40120-69-2
Identifier:
CAS number
50885-87-5
Identifier:
CAS number
607374-50-5
Identifier:
CAS number
8033-53-2
Identifier:
IUPAC name
Bis(2-ethylhexyl) phthalate
Identifier:
IUPAC name
Bis(2-ethylhexyl)benzene-1,2-dicarboxylate
Identifier:
IUPAC name
bis(2-ethylhexyl) benzene-1,2-dicarboxylate
Identifier:
other: InChl
1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24 (26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
Identifier:
other: Molecular formula
C23H38O4
Identifier:
other: SMILES notation
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
Identifier:
other: InChl
InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19- 20H,5-10,13-14,17-18H2,1-4H3
Identifier:
other: InChl
InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
Identifier:
other: SMILES notation
c1(c(C(OC[C@@H](CCCC)CC)=O)cccc1)C(OC[C@@H](CCCC)CC)=O
bis(2-ethylhexyl) phthalate

CAS information

CAS number:
117-81-7

Molecular and structural information

Molecular formula:
C24H38O4
Molecular weight:
390.556
SMILES notation:
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC
InChl:
InChI=1/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3
Structural formula:
Chemical structure