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 C55
Inventory
Synonyms
Molecular and structural information
- Molecular formula:
- C55H102O8 and C55H104O8
- Molecular weight:
- >= 891.39 - <= 893.41
- SMILES notation:
- C8/12/12/18:1 PE tetraester: O=C(CCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC
C8/10/14/18:1 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCC\C=C\CCCCCCCC
C10/10/12/18:1 PE tetraester: O=C(CCCCCCCCCCC)OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCC\C=C\CCCCCCCC)COC(=O)CCCCCCCCC
C10/12/14/14 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC
C12/12/12/14 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
C8/14/14/14 PE tetraester: O=C(CCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCCCC
C8/10/16/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCC
C8/12/14/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCC)COC(=O)CCCCCCCCCCC
C10/10/14/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC
C10/12/12/16 PE tetraester: O=C(CCCCCCCCCCCCCCC)OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCCCC - InChl:
- C8/12/12/18:1 PE tetraester: InChI=1/C55H102O8/c1-5-9-13-17-20-23-24-25-26-27-28-31-34-38-42-46-54(59)63-50-55(47-60-51(56)43-39-35-16-12-8-4,48-61-52(57)44-40-36-32-29-21-18-14-10-6-2)49-62-53(58)45-41-37-33-30-22-19-15-11-7-3/h25-26H,5-24,27-50H2,1-4H3/b26-25+
C8/10/14/18:1 PE tetraester: InChI=1/C55H102O8/c1-5-9-13-17-20-22-24-25-26-27-29-31-34-38-42-46-54(59)63-50-55(47-60-51(56)43-39-35-16-12-8-4,48-61-52(57)44-40-36-32-19-15-11-7-3)49-62-53(58)45-41-37-33-30-28-23-21-18-14-10-6-2/h25-26H,5-24,27-50H2,1-4H3/b26-25+
C10/10/12/18:1 PE tetraester: InChI=1/C55H102O8/c1-5-9-13-17-21-23-24-25-26-27-28-30-34-38-42-46-54(59)63-50-55(47-60-51(56)43-39-35-31-19-15-11-7-3,48-61-52(57)44-40-36-32-20-16-12-8-4)49-62-53(58)45-41-37-33-29-22-18-14-10-6-2/h25-26H,5-24,27-50H2,1-4H3/b26-25+
C10/12/14/14 PE tetraester: InChI=1/C55H104O8/c1-5-9-13-17-21-24-26-29-33-37-41-45-53(58)62-49-55(47-60-51(56)43-39-35-31-20-16-12-8-4,48-61-52(57)44-40-36-32-28-23-19-15-11-7-3)50-63-54(59)46-42-38-34-30-27-25-22-18-14-10-6-2/h5-50H2,1-4H3
C12/12/12/14 PE tetraester: InChI=1/C55H104O8/c1-5-9-13-17-21-25-26-30-34-38-42-46-54(59)63-50-55(47-60-51(56)43-39-35-31-27-22-18-14-10-6-2,48-61-52(57)44-40-36-32-28-23-19-15-11-7-3)49-62-53(58)45-41-37-33-29-24-20-16-12-8-4/h5-50H2,1-4H3
C8/14/14/14 PE tetraester: InChI=1/C55H104O8/c1-5-9-13-17-20-23-26-29-32-36-40-44-52(57)61-48-55(47-60-51(56)43-39-35-16-12-8-4,49-62-53(58)45-41-37-33-30-27-24-21-18-14-10-6-2)50-63-54(59)46-42-38-34-31-28-25-22-19-15-11-7-3/h5-50H2,1-4H3
C8/10/16/16 PE tetraester: InChI=1/C55H104O8/c1-5-9-13-17-20-22-24-26-28-30-33-37-41-45-53(58)62-49-55(47-60-51(56)43-39-35-16-12-8-4,48-61-52(57)44-40-36-32-19-15-11-7-3)50-63-54(59)46-42-38-34-31-29-27-25-23-21-18-14-10-6-2/h5-50H2,1-4H3
C8/12/14/16 PE tetraester: InChI=1/C55H104O8/c1-5-9-13-17-20-23-25-26-28-31-34-38-42-46-54(59)63-50-55(47-60-51(56)43-39-35-16-12-8-4,48-61-52(57)44-40-36-32-29-22-19-15-11-7-3)49-62-53(58)4
Due to the limited size not all InChI codes can be given.
Related substances
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