Ligustilide
- Product NameLigustilide
- CAS4431-01-0
- CBNumberCB8368360
- MFC12H14O2
- MW190.24
- MDL NumberMFCD01861511
- MOL File4431-01-0.mol
- MSDS FileSDS
Chemical Properties
| Boiling point | 377.9±11.0 °C(Predicted) |
| Density | 1.10±0.1 g/cm3(Predicted) |
| storage temp. | -20°C, protect from light, stored under nitrogen |
| solubility | DMSO : 100 mg/mL (525.65 mM; Need ultrasonic) |
| form | Oil |
| color | Colorless to light yellow |
| Stability | Light Sensitive |
| Major Application | metabolomics vitamins, nutraceuticals, and natural products |
| InChI | InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3 |
| InChIKey | IQVQXVFMNOFTMU-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(CCC=C2)C(=CCCC)O1 |
| LogP | 1.710 (est) |
| FDA UNII | 10HE68JD06 |
| UNSPSC Code | 12352205 |
| NACRES | NA.25 |
Safety
| Symbol(GHS) |
  
|
| Signal word | Danger |
| Hazard statements | H315-H319-H361-H372-H335-H336-H304-H401-H225 |
| Precautionary statements | P501-P273-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P331-P308+P313-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405 |
| Risk Statements | 22/23 |
| Safety Statements | 24/25 |
| RIDADR | 2810 |
| WGK Germany | WGK 3 |
| HS Code | 29322090 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral |
