Registration Dossier
Registration Dossier
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EC number: 271-091-4 | CAS number: 68515-49-1
Reference substances
- IUPAC name:
- 1,2-benzenedicarboxylic acid, isodecyl, isoundecyl ester
Inventory
- EC number:
- 305-701-8
- EC name:
- Isodecyl isoundecyl phthalate
- CAS number:
- 94979-22-3
- CAS number:
- 94979-22-3
Synonyms
- Names:
- 3,5-dimethyloctyl 3,5-dimethylnonyl phthalate (Only one isomer is represented here for the sake of simplicity)
- Identifier:
- IUPAC name
- 1,2-benzenedicarboxylic acid, isodecyl isoundecyl ester
- Identifier:
- IUPAC name
- Isodecyl isoundecyl phthalate
- Identifier:
- other: SMILES notation
- CC(C)CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC(C)C
- Identifier:
- other: SMILES notation
- CC(C)CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
- Identifier:
- other: InChl
- InChI=1S/C29H48O4/c1-24(2)18-12-8-5-6-10-16-22-32-28(30)26-20-14-15-21-27(26)29(31)33-23-17-11-7-9-13-19-25(3)4/h14-15,20-21,24-25H,5-13,16-19,22-23H2,1-4H3
- Identifier:
- other: SMILES notation
- O=C(OCCCCCCCC(C)CC)C1=CC=CC=C1C(OCCCCCCCC(C)C)=O
Molecular and structural information
- Molecular formula:
- C29H48O4
- Molecular weight:
- 461
- SMILES notation:
- CCC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CCCC
- InChl:
- Not applicable
- 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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