Registration Dossier
Registration Dossier
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EC number: 292-832-8 | CAS number: 91001-61-5
Reference substances
- IUPAC name:
- Fatty acids, C16-18 and C18-unsatd., mixed esters with adipic acid and trimethylolpropane
Inventory
- EC number:
- 292-832-8
- EC name:
- Fatty acids, C16-18 and C18-unsatd., mixed esters with adipic acid and trimethylolpropane
- CAS number:
- 91001-61-5
- CAS number:
- 91001-61-5
Synonyms
- Names:
- Identifier:
- IUPAC name
- 91001-61-5
- Identifier:
- IUPAC name
- Fatty acids, C16-18 (even numbered) and C18-unsatd., adipic acid esters with trimethylolpropane
- Identifier:
- IUPAC name
- Fatty acids, C16-18 (even numbered) and C18-unsatd., mixed esters with adipic acid and trimethylolpropane
- Identifier:
- other: Molecular formula
- C54H104O6; C60H110O6; C60H110O6
- Identifier:
- other: Molecular formula
- Examples of molecular formules that represents this substance: C82H154O12 – C180H332O30
- Identifier:
- other: InChl
- InChI=1S/C90H162O12/c1-7-13-17-21-25-29-33-37-41-45-49-53-57-61-65-71-83(91)97-77-89(11-5,78-98-84(92)72-66-62-58-54-50-46-42-38-34-30-26-22-18-14-8-2)81-101-87(95)75-69-70-76-88(96)102-82-90(12-6,79-99-85(93)73-67-63-59-55-51-47-43-39-35-31-27-23-19-15-9-3)80-100-86(94)74-68-64-60-56-52-48-44-40-36-32-28-24-20-16-10-4/h37-44H,7-36,45-82H2,1-6H3/b41-37+,42-38+,43-39+,44-40+
- Identifier:
- other: Molecular formula
- Not applicable (UVCB)
- Identifier:
- other: SMILES notation
- Not applicable (UVCB)
- Identifier:
- other: InChl
- Not applicable (UVCB)
- Identifier:
- other: Molecular formula
- Not available as UVCB.
- Identifier:
- other: SMILES notation
- Not available as UVCB.
- Identifier:
- other: InChl
- Not available as UVCB.
- Identifier:
- other: Molecular formula
- not available
- Identifier:
- other: SMILES notation
- not available
- Identifier:
- other: SMILES notation
- not available due to UVCB
- Identifier:
- other: InChl
- not available due to UVCB
- Identifier:
- other: Molecular formula
- not available, UVCB substance
- Identifier:
- other: SMILES notation
- not available, UVCB substance
Molecular and structural information
- Molecular formula:
- Examples of molecular formules that represents this substance: C54H104O6; C60H110O6; C60H110O6
- Molecular weight:
- >= 518 - <= 933
- SMILES notation:
- Examples of smiles notation of C60H110O6:
C(CCCCCCC\C=C/CCCCCCCC)(=O)OCC(CC)(COC(CCCCCCC\C=C/CCCCCCCC)=O)COC(CCCCCCC\C=C/CCCCCCCC)=O - InChl:
- Examples of InChI notation of C60H110O6:
InChI=1S/C60H110O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-48-51-57(61)64-54-60(8-4,55-65-58(62)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)56-66-59(63)53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h27-32H,5-26,33-56H2,1-4H3/b30-27-,31-28-,32-29- - Structural formula:
Related substances
- Identifier:
- CAS number
- Identity:
- 91001-61-5
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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