Registration Dossier
Registration Dossier
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EC number: 271-090-9 | CAS number: 68515-48-0
Reference substances
- IUPAC name:
- 1,2-benzenedicarboxylic acid, di-isononyl ester
Inventory
- EC number:
- 249-079-5
- EC name:
- Di-''isononyl'' phthalate
- CAS number:
- 28553-12-0
- CAS number:
- 28553-12-0
Synonyms
- Names:
- 1,2-Benzenedicarboxylic acid, diisononyl ester
- bis(3,5-dimethylheptyl) phthalate (Only one isomer is represented here for the sake of simplicity)
- Identifier:
- IUPAC name
- 1,2-Benzenedicarboxylic acid, 1,2-diisononyl ester
- Identifier:
- IUPAC name
- Di-''isononyl'' phthalate
- Identifier:
- IUPAC name
- Di-isononylphthalate
- Identifier:
- other: SMILES notation
- CC(C)CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCC(C)C
- Identifier:
- other: InChl
- InChI=1/C26H42O4/c1-19(17-25(3,4)5)13-15-29-23(27)21-11-9-10-12-22(21)24(28)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3
- Identifier:
- other: InChl
- InChI=1S/C26H42O4/c1-7-19(3)17-21(5)13-15-29-25(27)23-11-9-10-12-24(23)26(28)30-16-14-22(6)18-20(4)8-2/h9-12,19-22H,7-8,13-18H2,1-6H3
- Identifier:
- other: SMILES notation
- O=C(OCCC(C)CC(C)(C)C)c1ccccc1C(=O)OCCC(C)CC(C)(C)C
- Identifier:
- other: SMILES notation
- O=C(OCCC(C)CC(C)CC)C1=CC=CC=C1C(OCCC(C)CC(C)CC)=O
Molecular and structural information
- Molecular formula:
- C26H42O4
- Molecular weight:
- ca. 419
- SMILES notation:
- CC(C)CC(C)CCCOC(=O)c1ccccc1c(=O)OCCC(C)CC(C)CC
- 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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