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Reference substances

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General information

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Reference substance information

IUPAC name:
Pentaerythritol C16-18 diesters

Molecular and structural information

Molecular formula:
C37H72O6 (C16di)
C41H80O6 (C18di)
Molecular weight:
> 612.96 - < 669.07
SMILES notation:
O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCCCC)(CO)CO;
O=C(CCCCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCCCCCC)(CO)CO
InChl:
InChI=1/C37H72O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)42-33-37(31-38,32-39)34-43-36(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-34H2,1-2H3;
InChI=1/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3;
Structural formula:
Chemical structure