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 C61
Inventory
Synonyms
Molecular and structural information
- Molecular formula:
- C61H114O8 and C61H116O8
- Molecular weight:
- >= 975.55 - <= 977.57
- SMILES notation:
- C10/14/16/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC
C12/14/14/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
C12/12/16/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
C14/14/14/14 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
C10/14/14/18:1 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCCCC
C12/12/14/18:1 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCCCCCC - InChl:
- C10/14/16/16 PE tetraester: InChI=1/C61H116O8/c1-5-9-13-17-21-24-27-29-32-35-39-43-47-51-59(64)68-55-61(53-66-57(62)49-45-41-37-20-16-12-8-4,54-67-58(63)50-46-42-38-34-31-26-23-19-15-11-7-3)56-69-60(65)52-48-44-40-36-33-30-28-25-22-18-14-10-6-2/h5-56H2,1-4H3
C12/14/14/16 PE tetraester: InChI=1/C61H116O8/c1-5-9-13-17-21-25-28-29-32-36-40-44-48-52-60(65)69-56-61(53-66-57(62)49-45-41-37-33-24-20-16-12-8-4,54-67-58(63)50-46-42-38-34-30-26-22-18-14-10-6-2)55-68-59(64)51-47-43-39-35-31-27-23-19-15-11-7-3/h5-56H2,1-4H3
C12/12/16/16 PE tetraester: InChI=1/C61H116O8/c1-5-9-13-17-21-25-27-29-31-35-39-43-47-51-59(64)68-55-61(53-66-57(62)49-45-41-37-33-23-19-15-11-7-3,54-67-58(63)50-46-42-38-34-24-20-16-12-8-4)56-69-60(65)52-48-44-40-36-32-30-28-26-22-18-14-10-6-2/h5-56H2,1-4H3
C14/14/14/14 PE tetraester: InChI=1/C61H116O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-57(62)66-53-61(54-67-58(63)50-46-42-38-34-30-26-22-18-14-10-6-2,55-68-59(64)51-47-43-39-35-31-27-23-19-15-11-7-3)56-69-60(65)52-48-44-40-36-32-28-24-20-16-12-8-4/h5-56H2,1-4H3
C10/14/14/18:1 PE tetraester: InChI=1/C61H114O8/c1-5-9-13-17-21-24-27-28-29-30-33-36-40-44-48-52-60(65)69-56-61(53-66-57(62)49-45-41-37-20-16-12-8-4,54-67-58(63)50-46-42-38-34-31-25-22-18-14-10-6-2)55-68-59(64)51-47-43-39-35-32-26-23-19-15-11-7-3/h28-29H,5-27,30-56H2,1-4H3/b29-28+
C12/12/14/18:1 PE tetraester: InChI=1/C61H114O8/c1-5-9-13-17-21-25-27-28-29-30-32-36-40-44-48-52-60(65)69-56-61(53-66-57(62)49-45-41-37-33-23-19-15-11-7-3,54-67-58(63)50-46-42-38-34-24-20-16-12-8-4)55-68-59(64)51-47-43-39-35-31-26-22-18-14-10-6-2/h28-29H,5-27,30-56H2,1-4H3/b29-28+
Related substances
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