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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
3-[3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propoxy]-2,2-bis[(octadecanoyloxy)methyl]propyl octadecanoate

Inventory

CAS number:
70969-57-2
Synonyms
Names:
Identifier:
IUPAC name
Octadecanoic acid, 1,1'-[2-[[3-[(1-oxooctadecyl)oxy]-2,2-bis[[(1-oxooctadecyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl] ester
Identifier:
IUPAC name
Octadecanoic acid, 2-[[3-[(1-oxooctadecyl)oxy]-2,2-bis[[(1-oxooctadecyl)oxy]methyl]propoxy]methyl]-2-[[(1-oxooctadecyl)oxy]methyl]-1,3-propanediyl ester
Identifier:
other: Molecular formula
C118H226O13
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCC(OCC(COC(CCCCCCCCCCCCCCCCC)=O)(COCC(COC(CCCCCCCCCCCCCCCCC)=O)(COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)COC(CCCCCCCCCCCCCCCCC)=O)=O
2-({3-(octadecanoyloxy)-2,2-bis[(octadecanoyloxy)methyl]propoxy}methyl)-2-[(octadecanoyloxy)methyl]propane-1,3-diyl dioctadecanoate

Molecular and structural information

Molecular formula:
C118H226O13
Molecular weight:
1 853.05
SMILES notation:
CCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
InChl:
InChI=1S/C118H226O13/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-111(119)126-105-117(106-127-112(120)98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2,107-128-113(121)99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)103-125-104-118(108-129-114(122)100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4,109-130-115(123)101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)110-131-116(124)102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6/h7-110H2,1-6H3
Structural formula:
Chemical structure

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