Registration Dossier

Reference substances

Reference substances

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General information

Inventory

EC number:
270-291-9
EC name:
Fatty acids, C5-10, esters with pentaerythritol
CAS number:
68424-31-7

No inventory information available

Reference substance information

CAS information

CAS number:
68424-31-7

Molecular and structural information

Molecular formula:
C25H44O8 to C45H84O8
Molecular weight:
472.6
SMILES notation:
Example for SMILES code:
O=C(OCC(COC(=O)CCCC)(COC(=O)CCCC)COC(=O)CCCC)CCCC
and
O=C(OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCCC
InChl:
Example for InChI:
InChI=1/C25H44O8/c1-5-9-13-21(26)30-17-25(18-31-22(27)14-10-6-2,19-32-23(28)15-11-7-3)20-33-24(29)16-12-8-4/h5-20H2,1-4H3
and
InChI=1/C45H84O8/c1-5-9-13-17-21-25-29-33-41(46)50-37-45(38-51-42(47)34-30-26-22-18-14-10-6-2,39-52-43(48)35-31-27-23-19-15-11-7-3)40-53-44(49)36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3
Structural formula:
Chemical structure