Registration Dossier

Reference substances

Reference substances

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General information

Inventory

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Reference substance information

IUPAC name:
Pentaerythritol C16-18 monoesters

Molecular and structural information

Molecular formula:
C21H42O5 (C16m)
C23H46O5 (C18m)
Molecular weight:
> 374.56 - < 402.61
SMILES notation:
OCC(COC(=O)CCCCCCCCCCCCCCC)(CO)CO;
OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)CO;
InChl:
InChI=1/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)26-19-21(16-22,17-23)18-24/h22-24H,2-19H2,1H3;
InChI=1/C23H46O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h24-26H,2-21H2,1H3;
Structural formula:
Chemical structure