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| IUPAC Name: | 2-(1-hydroxy-7-methyloctoxy)carbonylbenzoate |
| Description: | Monohydroxyisononyl Phthalate is a metabolite of Dibutyl phthalate (DBP) (D429495), which is widely used in consumer products. |
| Molecular Weight: | 308.37 |
| Molecular Formula: | C17H24O5 |
| Canonical SMILES: | CC(C)CCCCCC(O)OC(=O)C1=CC=CC=C1C(=O)[O-] |
| InChI: | InChI=1S/C17H24O5/c1-12(2)8-4-3-5-11-15(18)22-17(21)14-10-7-6-9-13(14)16(19)20/h6-7,9-10,12,15,18H,3-5,8,11H2,1-2H3,(H,19,20)/p-1 |
| InChI Key: | VBGYBXWEUOJCFY-UHFFFAOYSA-M |
| Solubility: | Chloroform (Slightly), Ethyl Acetate (Slightly, Sonicated) |
| Appearance: | Colorless to Off-White Thick Oil to Sticky Solid |
| Storage: | 4°C |
| References: | Silva, M., et al. Arch. Toxicol., 77, 561 (2003), Silva, M., et al. Toxicology, 210, 123 (2005), Silva, M., et al. J. Anal. Toxicol., 29, 819, (2005). |
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