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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

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(2-methylpropyl) benzene-1,2-dicarboxylate

Inventory

EC number:
201-553-2
EC name:
Diisobutyl phthalate
CAS number:
84-69-5
CAS number:
84-69-5
Synonyms
Names:
1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylpropyl) ester
1,2-Benzenedicarboxylic acid, bis(2-methylpropyl) ester
1,2-Benze​nedicarbo​xylic aci​d, diisobutyl est​er
DIBP
Phthalic acid, diisobutyl ester
bis(2-met​hylpropyl​) benzene​-1,2-dica​rboxylate
phthalic ​acid di-(​2-methylp​ropyl) es​ter
Identifier:
other: SMILES notation
CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
Identifier:
other: SMILES notation
CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
Identifier:
other: InChl
InChI=1/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
Identifier:
other: InChl
InChI=1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
Identifier:
other: SMILES notation
O=C(OCC(C)C)c(c(ccc1)C(=O)OCC(C)C)c1
diisobutyl phthalate

Molecular and structural information

Molecular formula:
C16H22O4
Molecular weight:
278.35
SMILES notation:
O=C(OCC(C)C)c1c(cccc1)C(=O)OCC(C)C
InChl:
1S/C16H22O4/c1-11(2)9-19-15(17)13-7-5-6-8-14(13)16(18)20-10-12(3)4/h5-8,11-12H,9-10H2,1-4H3
Structural formula:
Chemical structure

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