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Reference substances

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Reference substance information

IUPAC name:
Pentaerythritol C16-18 tetraesters

Molecular and structural information

Molecular formula:
C69H132O8 (C16tetra)
C77H148O8 (C18tetra)
Molecular weight:
> 1 089.78 - < 1 201.99
SMILES notation:
O=C(OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC; O=C(OCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
InChl:
InChI=1/C69H132O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-65(70)74-61-69(62-75-66(71)58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,63-76-67(72)59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)64-77-68(73)60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-64H2,1-4H3;
InChI=1/C77H148O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3
Structural formula:
Chemical structure