Dibutyl phthalate
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CAS Number 84-74-2
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Catalog Number io-2133
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Classification Esters
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Molecular Weight 278.3400
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SMILES CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
| Size | QTY | Notes | |
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Di-n-butyl Phthalate (DBP) can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to The National Toxicology Program's Center for the Evaluation of Risks to Human Reproduction.
| 1 | dibutyl phthalate |
| 2 | Di-n-butyl phthalate |
| 3 | n-Butyl phthalate |
| 4 | Butyl phthalate |
| 5 | Genoplast B |
| Molecular Formula | C16H22O4 |
|---|---|
| Canonical SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| Isomeric SMILES | CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC |
| Molecular Weight | 278.3400 |
| InChIKey | DOIRQSBPFJWKBE-UHFFFAOYSA-N |
| InChI | InChI=1S/C16H22O4/c1-3-5-11-19-15(17)13-9-7-8-10-14(13)16(18)20-12-6-4-2/h7-10H,3-6,11-12H2,1-2H3 |
| XLogP | 4.7000 |
| ExactMass | 278.1518 |
| MonoisotopicMass | 278.1518 |
| TPSA | 52.6000 |
| Complexity | 271.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 10 |
| HeavyAtomCount | 20 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 86461 |
| PatentFamilyCount | 39291 |
| LiteratureCount | 8088 |
