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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
tris(2-octyldodecyl) citrate

Inventory

CAS number:
126121-35-5
Synonyms
Names:
Identifier:
IUPAC name
1,2,3-Propanetricarboxylic acid, 2-hydroxy-,1,2,3tris(2-octyldodecyl) ester

Molecular and structural information

Molecular formula:
C66H128O7
Molecular weight:
1 033.718
SMILES notation:
CCCCCCCCCCC(CCCCCCCC)COC(=O)CC(O)(CC(=O)OCC(CCCCCCCC)CCCCCCCCCC)C(=O)OCC(CCCCCCCC)CCCCCCCCCC
InChl:
InChI=1/C66H128O7/c1-7-13-19-25-31-34-40-46-51-60(49-43-37-28-22-16-10-4)57-71-63(67)55-66(70,65(69)73-59-62(53-45-39-30-24-18-12-6)54-48-42-36-33-27-21-15-9-3)56-64(68)72-58-61(50-44-38-29-23-17-11-5)52-47-41-35-32-26-20-14-8-2/h60-62,70H,7-59H2,1-6H3
Structural formula:
Chemical structure

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