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| IUPAC Name: | sodium6-hydroxyhexanoate |
| Description: | Sodium 6-Hydroxycaproate is an intermediate in the synthesis of Mono-5-carboxy-n-pentyl-phthalate (M525495), which is a metabolite of Dibutyl phthalate (DBP) (D429495), which is widely used in consumer products. |
| Molecular Weight: | 154.14 |
| Molecular Formula: | C6H11NaO3 |
| Canonical SMILES: | C(CCC(=O)[O-])CCO.[Na+] |
| InChI: | InChI=1S/C6H12O3.Na/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9)/q+1/p-1 |
| InChI Key: | SCHJIKPVOOCORF-UHFFFAOYSA-M |
| Melting Point: | 182-184°C |
| Solubility: | Methanol (Slightly), Water (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C, Inert atmosphere |
| 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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