Di(2-ethylhexyl) phthalate
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CAS Number 117-81-7
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Catalog Number io-2214
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Classification Esters
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Molecular Weight 390.6000
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SMILES CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC
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Di(2-ethylhexyl)phthalate (DEHP) can cause cancer according to an independent committee of scientific and health experts. It can cause developmental toxicity and male reproductive toxicity according to NIOSH and the FDA.
| 1 | Bis(2-ethylhexyl) phthalate |
| 2 | DEHP |
| 3 | Di(2-ethylhexyl)phthalate |
| 4 | Di(2-ethylhexyl) phthalate |
| 5 | BIS(2-ETHYLHEXYL)PHTHALATE |
| Molecular Formula | C24H38O4 |
|---|---|
| Canonical SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| Isomeric SMILES | CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC(CC)CCCC |
| Molecular Weight | 390.6000 |
| InChIKey | BJQHLKABXJIVAM-UHFFFAOYSA-N |
| InChI | InChI=1S/C24H38O4/c1-5-9-13-19(7-3)17-27-23(25)21-15-11-12-16-22(21)24(26)28-18-20(8-4)14-10-6-2/h11-12,15-16,19-20H,5-10,13-14,17-18H2,1-4H3 |
| XLogP | 7.4000 |
| ExactMass | 390.2770 |
| MonoisotopicMass | 390.2770 |
| TPSA | 52.6000 |
| Complexity | 394.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 16 |
| HeavyAtomCount | 28 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 2 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 2 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 46944 |
| PatentFamilyCount | 25068 |
| LiteratureCount | 6956 |
