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| IUPAC Name: | 4-(2-ethylhexoxycarbonyl)benzoic acid |
| Description: | Mono(2-ethylhexyl) Terephthalate is a plasticizer for poly(vinyl chlorides) and a metabolite of di(2-ethylhexyl) terephthalate (DEHT) which has been found not to be genotoxic. |
| Molecular Weight: | 278.34 |
| Molecular Formula: | C16H22O4 |
| Canonical SMILES: | CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)O |
| InChI: | InChI=1S/C16H22O4/c1-3-5-6-12(4-2)11-20-16(19)14-9-7-13(8-10-14)15(17)18/h7-10,12H,3-6,11H2,1-2H3,(H,17,18) |
| InChI Key: | HRUJAEJKCNCOGW-UHFFFAOYSA-N |
| Melting Point: | 106 - 108°C |
| Solubility: | Chloroform (Slightly), Methanol (Slightly, Sonicated) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C |
| References: | Reichherzer, R. Mitt. Chem. Forsch. Wirt. Oesterr., 11, 5 (1957); Barber, E.D. Environ. Mol. Mutagen., 23, 234 (1994). |
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