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| IUPAC Name: | 2-(7-hydroxy-4-methyloctoxy)carbonylbenzoic acid |
| Description: | 1,2-Benzenedicarboxylic Acid 1-(7-Hydroxy-4-methyloctyl) Ester is a phthalate metabolite of Diisononyl phthalate (DINP), a plasticizer in food contact materials. |
| Molecular Weight: | 308.37 |
| Molecular Formula: | C17H24O5 |
| Canonical SMILES: | CC(CCCOC(=O)C1=CC=CC=C1C(=O)O)CCC(C)O |
| InChI: | InChI=1S/C17H24O5/c1-12(9-10-13(2)18)6-5-11-22-17(21)15-8-4-3-7-14(15)16(19)20/h3-4,7-8,12-13,18H,5-6,9-11H2,1-2H3,(H,19,20) |
| InChI Key: | RWCHSWLUPRJYEX-UHFFFAOYSA-N |
| Solubility: | DMSO (Slightly), Ethyl Acetate (Slightly) |
| Appearance: | Pale Yellow Thick Oil |
| Storage: | -20°C, Hygroscopic |
| References: | Becker, K., et al. Int. J. Hyg. Environ. Health, 212, 685 (2009);Koch, H., et al. J. Chromat. Anal. Technol. Biomed. Life Sci., 847, 114 (2007). |
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