n-Dioctylphthalate
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CAS Number 117-84-0
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Catalog Number io-2282
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Classification Esters
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Molecular Weight 390.6000
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SMILES CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
| Size | QTY | Notes | |
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Di-n-octyl phthalate is a phthalate ester and a diester.
| 1 | Dioctyl phthalate |
| 2 | DI-N-OCTYL PHTHALATE |
| 3 | dioctyl benzene-1,2-dicarboxylate |
| 4 | DNOP |
| 5 | Vinicizer 85 |
| Molecular Formula | C24H38O4 |
|---|---|
| Canonical SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC |
| Isomeric SMILES | CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC |
| Molecular Weight | 390.6000 |
| InChIKey | MQIUGAXCHLFZKX-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H38O4/c1-3-5-7-9-11-15-19-27-23(25)21-17-13-14-18-22(21)24(26)28-20-16-12-10-8-6-4-2/h13-14,17-18H,3-12,15-16,19-20H2,1-2H3 |
| XLogP | 9.1000 |
| ExactMass | 390.2770 |
| MonoisotopicMass | 390.2770 |
| TPSA | 52.6000 |
| Complexity | 369.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 18 |
| HeavyAtomCount | 28 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 65429 |
| PatentFamilyCount | 28477 |
| LiteratureCount | 1005 |
