HYDROXYVALERENIC ACID
- Product NameHYDROXYVALERENIC ACID
- CAS1619-16-5
- CBNumberCB8247045
- MFC15H22O3
- MW250.33
- MDL NumberMFCD00189426
- MOL File1619-16-5.mol
Chemical Properties
| Melting point | 164,5-165,5°C |
| Boiling point | 426.0±40.0 °C(Predicted) |
| Density | 1.14±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Chloroform (Slightly), Ethanol (Slightly) |
| pka | 4.88±0.19(Predicted) |
| form | Solid |
| color | White to Off-White |
| BRN | 2981421 |
| Major Application | food and beverages |
| InChI | 1S/C15H22O3/c1-8-4-5-11(6-10(3)15(17)18)13-9(2)7-12(16)14(8)13/h6,8,11-12,14,16H,4-5,7H2,1-3H3,(H,17,18)/b10-6+/t8-,11+,12-,14+/m1/s1 |
| InChIKey | XJNQXTISSHEQKD-UNXUOHHUSA-N |
| SMILES | C[C@@H]1CC[C@@H](\C=C(/C)C(O)=O)C2=C(C)C[C@@H](O)[C@H]12 |
| LogP | 3.293 (est) |
| FDA UNII | 043W90DL5F |
| UNSPSC Code | 41116107 |
| NACRES | NA.24 |
