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| IUPAC Name: | potassium4-hydroxy-4-methylpentanoate |
| Description: | Potassium 4-Hydroxy-4-methylpentanoate is the potassium salt version of 4- Hydroxy- 4- methyl-pentanoic Acid (CAS# 23327-19-7), which is a volatile constituent that was identified in mouse urine. |
| Molecular Weight: | 170.24 |
| Molecular Formula: | C6H11O3-·K+ |
| Canonical SMILES: | CC(C)(CCC(=O)[O-])O.[K+] |
| InChI: | InChI=1S/C6H12O3.K/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)/q+1/p-1 |
| InChI Key: | SPIZJFCPJRORDE-UHFFFAOYSA-M |
| Melting Point: | 152- 155 °C |
| Solubility: | Methanol (Slightly), Water (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | Hygroscopic, Refrigerator, under inert atmosphere |
| References: | Schwende, F. J., et al. J. Chem. Ecology, 12, 277 (1986). |
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