Registration Dossier
Registration Dossier
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EC number: 601-141-6 | CAS number: 111937-03-2
Reference substances
- IUPAC name:
- hexadecyl 7-methyloctanoate
Inventory
- EC number:
- 284-424-3
- EC name:
- Hexadecyl isononanoate
- CAS number:
- 84878-33-1
- CAS number:
- 84878-33-1
Synonyms
- Names:
- Identifier:
- IUPAC name
- Hexadecyl Isononanoate
- Identifier:
- IUPAC name
- Isononanoic acid, hexadecyl ester
- Identifier:
- IUPAC name
- hexadecyl 3,5,5-trimethylhexanoate
- Identifier:
- IUPAC name
- hexadecyl isononanoate
- Identifier:
- other: InChl
- 1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)22-19-17-18-21-24(2)3/h24H,4-23H2,1-3H3
- Identifier:
- other: Molecular formula
- C25H50O2
- Identifier:
- other: SMILES notation
- CC(C)(C)CC(C)CC(OCCCCCCCCCCCCCCCC)=O
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
- Identifier:
- other: SMILES notation
- CCCCCCCCCCCCCCCCOC(=O)CCCCCC(C)C
- Identifier:
- other: InChl
- InChI=1S/C25H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-27-25(26)22-19-17-18-21-24(2)3/h24H,4-23H2,1-3H3
- Identifier:
- other: InChl
- InChI=1S/C25H50O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(26)21-23(2)22-25(3,4)5/h23H,6-22H2,1-5H3
- Identifier:
- other: SMILES notation
- O=C(OCCCCCCCCCCCCCCCC)CCCCCC(C)C
Molecular and structural information
- Molecular formula:
- C25 H50 O2
- Molecular weight:
- 382.669
- SMILES notation:
- CCCCCCCCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
- InChl:
- InChI=1/C25H52O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27-24(26)21-23(2)22-25(3,4)5/h23-24,26H,6-22H2,1-5H3
- 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.
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