Chemical Properties
| Melting point | 113-140°/155-168° |
| alpha | D22 -7.1° (c = 1.259 in chloroform); D16 -5.4° (c = 2.030 in chloroform) |
| Boiling point | 431.17°C (rough estimate) |
| Density | 1.0474 (rough estimate) |
| refractive index | 1.4860 (estimate) |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| solubility | DMF: 25 mg/mL; DMF:PBS(pH 7.2)(1:1): 0.5 mg/mL; DMSO: 20 mg/mL; Ethanol: 5 mg/mL |
| form | White to off-white solid. |
| pka | 15.14±0.70(Predicted) |
| color | White to off-white |
| Stability | Moisture Sensitive |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChIKey | ATLJNLYIJOCWJE-CWMZOUAVSA-N |
| SMILES | C[C@@]12[C@@]3(O[C@@H]3C[C@@H]2C4=COC(C=C4)=O)[C@]5([H])CC[C@]6([H])C[C@@H](O)CC[C@]6(C)[C@@]5([H])CC1 |
Safety Information
| Safety Statements | 24/25 |
| RIDADR | 3172 |
| WGK Germany | WGK 3 |
| HazardClass | 6.1(a) |
| PackingGroup | II |
| HS Code | 29322090 |
| Storage Class | 6.1A - Combustible acute toxic Cat. 1 and 2 very toxic hazardous materials |
| Hazard Classifications | Acute Tox. 2 Dermal Acute Tox. 2 Inhalation Acute Tox. 2 Oral |
| Toxicity | LD50 oral in mouse: 59800mg/kg |
