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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.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:
Fatty acid tetraesters with pentaerythritol C45

Inventory

Synonyms

Molecular and structural information

Molecular formula:
C45H84O8
Molecular weight:
753.14
SMILES notation:
C8/8/12/12 PE tetraester: O=C(CCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC
C8/10/10/12 PE tetraester: O=C(CCCCCCCCCCC)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC
C10/10/10/10 PE tetraester: O=C(CCCCCCCCC)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
InChl:
C8/8/12/12 PE tetraester: InChI=1/C45H84O8/c1-5-9-13-17-19-21-23-27-31-35-43(48)52-39-45(37-50-41(46)33-29-25-15-11-7-3,38-51-42(47)34-30-26-16-12-8-4)40-53-44(49)36-32-28-24-22-20-18-14-10-6-2/h5-40H2,1-4H3
C8/10/10/12 PE tetraester: InChI=1/C45H84O8/c1-5-9-13-17-20-21-24-28-32-36-44(49)53-40-45(37-50-41(46)33-29-25-16-12-8-4,38-51-42(47)34-30-26-22-18-14-10-6-2)39-52-43(48)35-31-27-23-19-15-11-7-3/h5-40H2,1-4H3
C10/10/10/10 PE tetraester: 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

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