Registration Dossier
Registration Dossier
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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.
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EC number: 287-397-6 | CAS number: 85507-75-1
Reference substances
- IUPAC name:
- Fatty acids, C14-18 (even numbered) and C16-C18 unsatd., tetraesters with bis(2,2-bis(hydroxymethyl)butyl) adipate
Inventory
Synonyms
Molecular and structural information
- Molecular formula:
- Example of molecular formula with four C16 fatty acids: C82H154O12
Example of molecular formula with four C18:1 fatty acids: C90H162O12 - Molecular weight:
- ca. 1 332 - ca. 1 444
- SMILES notation:
- The reported SMILES is referred to the tetraoleate molecule depicted below:
CCCCCCCC\C=C/CCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCC(=O)OCC(CC)(COC(=O)CCCCCCC\C=C/CCCCCCCC)COC(=O)CCCCCCC\C=C/CCCCCCCC - InChl:
- The reported InChi is referred to the tetraoleate molecule depicted below:
InChI=1/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-
InChIKey=BCPUWRWDNDXYNI-SDLHUVDUSA-N - Structural formula:
Related substances
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.
Reproduction or further distribution of this information may be subject to copyright protection. Use of the information without obtaining the permission from the owner(s) of the respective information might violate the rights of the owner.
