Registration Dossier
Registration Dossier
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EC number: 812-655-7 | CAS number: 2156595-37-6
Reference substances
- IUPAC name:
- Fatty acid tetraesters with pentaerythritol C59
Inventory
Synonyms
Molecular and structural information
- Molecular formula:
- C59H110O8 and C59H112O8
- Molecular weight:
- >= 947.5 - <= 949.52
- SMILES notation:
- C10/14/14/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCC
C10/12/16/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC
C12/12/14/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
C12/14/14/14 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
C8/14/14/18:1 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC
C8/12/16/18:1 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC - InChl:
- C10/14/14/16 PE tetraester: InChI=1/C59H112O8/c1-5-9-13-17-21-24-27-28-31-34-38-42-46-50-58(63)67-54-59(51-64-55(60)47-43-39-35-20-16-12-8-4,52-65-56(61)48-44-40-36-32-29-25-22-18-14-10-6-2)53-66-57(62)49-45-41-37-33-30-26-23-19-15-11-7-3/h5-54H2,1-4H3
C10/12/16/16 PE tetraester: InChI=1/C59H112O8/c1-5-9-13-17-21-24-26-28-30-33-37-41-45-49-57(62)66-53-59(51-64-55(60)47-43-39-35-20-16-12-8-4,52-65-56(61)48-44-40-36-32-23-19-15-11-7-3)54-67-58(63)50-46-42-38-34-31-29-27-25-22-18-14-10-6-2/h5-54H2,1-4H3
C12/12/14/16 PE tetraester: InChI=1/C59H112O8/c1-5-9-13-17-21-25-27-28-30-34-38-42-46-50-58(63)67-54-59(51-64-55(60)47-43-39-35-31-23-19-15-11-7-3,52-65-56(61)48-44-40-36-32-24-20-16-12-8-4)53-66-57(62)49-45-41-37-33-29-26-22-18-14-10-6-2/h5-54H2,1-4H3
C12/14/14/14 PE tetraester: InChI=1/C59H112O8/c1-5-9-13-17-21-25-28-32-36-40-44-48-56(61)65-52-59(51-64-55(60)47-43-39-35-31-24-20-16-12-8-4,53-66-57(62)49-45-41-37-33-29-26-22-18-14-10-6-2)54-67-58(63)50-46-42-38-34-30-27-23-19-15-11-7-3/h5-54H2,1-4H3
C8/14/14/18:1 PE tetraester: InChI=1/C59H110O8/c1-5-9-13-17-20-23-26-27-28-29-32-35-38-42-46-50-58(63)67-54-59(51-64-55(60)47-43-39-16-12-8-4,52-65-56(61)48-44-40-36-33-30-24-21-18-14-10-6-2)53-66-57(62)49-45-41-37-34-31-25-22-19-15-11-7-3/h27-28H,5-26,29-54H2,1-4H3/b28-27+
C8/12/16/18:1 PE tetraester: InChI=1/C59H110O8/c1-5-9-13-17-20-23-25-27-28-30-32-35-38-42-46-50-58(63)67-54-59(51-64-55(60)47-43-39-16-12-8-4,52-65-56(61)48-44-40-36-33-22-19-15-11-7-3)53-66-57(62)49-45-41-37-34-31-29-26-24-21-18-14-10-6-2/h27-28H,5-26,29-54H2,1-4H3/b28-27+
Related substances
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