Butyl benzyl phthalate
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CAS Number 85-68-7
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Catalog Number io-1887
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Classification Esters
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Molecular Weight 312.4000
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SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
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Butyl Benzyl Phthalate can cause developmental toxicity according to The National Toxicology Program's Center for the Evaluation of Risks to Human Reproduction.
| 1 | Benzyl butyl phthalate |
| 2 | BUTYL BENZYL PHTHALATE |
| 3 | Sicol |
| 4 | Palatinol BB |
| 5 | Santicizer 160 |
| Molecular Formula | C19H20O4 |
|---|---|
| Canonical SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
| Isomeric SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2 |
| Molecular Weight | 312.4000 |
| InChIKey | IRIAEXORFWYRCZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3 |
| XLogP | 4.9000 |
| ExactMass | 312.1362 |
| MonoisotopicMass | 312.1362 |
| TPSA | 52.6000 |
| Complexity | 374.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 9 |
| HeavyAtomCount | 23 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 43654 |
| PatentFamilyCount | 18846 |
| LiteratureCount | 1799 |
