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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate

Inventory

EC number:
289-991-0
EC name:
2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate
CAS number:
90052-75-8
CAS number:
90052-75-8
Synonyms
Names:
Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldodecyl ester
Identifier:
IUPAC name
2-octyldodecyl 12-[(1-oxooctadecyl)oxy]octadecanoate
Identifier:
IUPAC name
Reaction products of esterification among 2-octyldodecanol with palmitic acid, stearic acid and 12-hydroxystearic acid.
Identifier:
other: SMILES notation
not applicable, UVCB substance
Identifier:
other: InChl
not applicable, UVCB substance
2-octyldodecyl 12-(stearoyloxy)octadecanoate

Molecular and structural information

Molecular formula:
C56H110O4
Molecular weight:
847.47
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
InChl:
InChI=1/C56H110O4/c1-5-9-13-17-20-22-23-24-25-26-27-28-34-39-45-51-56(58)60-54(48-42-16-12-8-4)49-43-37-32-29-30-33-38-44-50-55(57)59-52-53(46-40-35-19-15-11-7-3)47-41-36-31-21-18-14-10-6-2/h53-54H,5-52H2,1-4H3
Structural formula:
Chemical structure

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