Acetoxyvalerenic Acid
- Product NameAcetoxyvalerenic Acid
- CAS84638-55-1
- CBNumberCB02709107
- MFC17H24O4
- MW292.37
- MDL NumberMFCD03093738
- MOL File84638-55-1.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 427.0±45.0 °C(Predicted) |
| Density | 1.13±0.1 g/cm3(Predicted) |
| storage temp. | 2-8°C |
| solubility | Chloroform: sparingly; Ethanol: very slightly, sonicated; Methanol: slightly |
| form | solid |
| pka | 4.88±0.19(Predicted) |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | 1S/C17H24O4/c1-9-5-6-13(7-11(3)17(19)20)15-10(2)8-14(16(9)15)21-12(4)18/h7,9,13-14,16H,5-6,8H2,1-4H3,(H,19,20)/b11-7+/t9-,13+,14-,16+/m1/s1 |
| InChIKey | VBBXZFLAYWAXSK-HYJCDKNOSA-N |
| SMILES | O([C@H]1[C@@H]2[C@@H](CC[C@H](C2=C(C1)C)\C=C(/C)\C(=O)O)C)C(=O)C |
| FDA UNII | 8A47JLA8P4 |
| UNSPSC Code | 85151701 |
| NACRES | NA.25 |
