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| IUPAC Name: | 2,3-dimethylhexanoic acid |
| Description: | 2,3-Dimethyl-hexanoic Acid is an intermediate used to prepare Mono-2,3-dimethylhexyl Phthalate (M539400), a metabolite of Dibutyl phthalate (DBP) (D429495), which is widely used in consumer products. |
| Molecular Weight: | 144.21 |
| Molecular Formula: | C8H16O2 |
| Canonical SMILES: | CCCC(C)C(C)C(=O)O |
| InChI: | InChI=1S/C8H16O2/c1-4-5-6(2)7(3)8(9)10/h6-7H,4-5H2,1-3H3,(H,9,10) |
| InChI Key: | OXMSPSXLDBKPIX-UHFFFAOYSA-N |
| Solubility: | Chloroform, Methanol |
| Appearance: | Clear Colourless Oil |
| 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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