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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Isooctadecanoic acid, 1,1',1''-(1,2,3-propanetriyl) ester

Inventory

EC number:
248-122-5
EC name:
1,2,3-propanetriyl triisooctadecanoate
CAS number:
26942-95-0
CAS number:
26942-95-0
Synonyms
Names:
Isooctadecanoic acid, 1,2,3-propanetriyl ester
Isostearic acid triglyceride
Identifier:
IUPAC name
1,2,3-Propanetriyl tris(16-methylheptadecanoate)
Identifier:
IUPAC name
1,2,3-propanetriyl triisooctadecanoate
Identifier:
other: SMILES notation
O=C(OCC(OC(=O)CCCCCCCCCCCCCCC(C)C)COC(=O)CCCCCCCCCCCCCCC(C)C)CCCCCCCCCCCCCCC(C)C
Identifier:
other: SMILES notation
not available, substance is UVCB
Identifier:
other: InChl
not available, substance is UVCB

Molecular and structural information

Molecular formula:
C57H110O6
Molecular weight:
891
SMILES notation:
CC(C)CCCCCCCCCCCCCCC(OCC(OC(CCCCCCCCCCCCCCC(C)C)=O)COC(CCCCCCCCCCCCCCC(C)C)=O)=O
InChl:
InChI=1S/C57H110O6/c1-51(2)43-37-31-25-19-13-7-10-16-22-28-34-40-46-55(58)61-49-54(63-57(60)48-42-36-30-24-18-12-9-15-21-27-33-39-45-53(5)6)50-62-56(59)47-41-35-29-23-17-11-8-14-20-26-32-38-44-52(3)4/h51-54H,7-50H2,1-6H3
Structural formula:
Chemical structure

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