Diethyl phthalate
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CAS Number 84-66-2
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Catalog Number io-2217
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Classification Esters
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Molecular Weight 222.2400
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SMILES CCOC(=O)C1=CC=CC=C1C(=O)OCC
| Size | QTY | Notes | |
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Diethyl phthalate is the diethyl ester of benzene-1,2-dicarboxylic acid. It has a role as a teratogenic agent, a neurotoxin and a plasticiser. It is a phthalate ester, a diester and an ethyl ester.
| 1 | DIETHYL PHTHALATE |
| 2 | Ethyl phthalate |
| 3 | phthalic acid diethyl ester |
| 4 | Anozol |
| 5 | diethyl benzene-1,2-dicarboxylate |
| Molecular Formula | C12H14O4 |
|---|---|
| Canonical SMILES | CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| Isomeric SMILES | CCOC(=O)C1=CC=CC=C1C(=O)OCC |
| Molecular Weight | 222.2400 |
| InChIKey | FLKPEMZONWLCSK-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H14O4/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2/h5-8H,3-4H2,1-2H3 |
| XLogP | 2.5000 |
| ExactMass | 222.0892 |
| MonoisotopicMass | 222.0892 |
| TPSA | 52.6000 |
| Complexity | 223.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 4 |
| RotatableBondCount | 6 |
| HeavyAtomCount | 16 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 117656 |
| PatentFamilyCount | 45855 |
| LiteratureCount | 2779 |
