Introduction：Basic information about Ligustilide CAS 4431-01-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ligustilide Basic information
| Product Name: | Ligustilide |
| Synonyms: | Z-LIGUSTILIDE;1(3H)-Isobenzofuranone,3-butylidene-4,5-dihydro-;(3Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one;3-[(Z)-Butylidene]-1,3,4,5-tetrahydroisobenzofuran-1-one;3-[(Z)-Butylidene]-4,5-dihydrophthalide;3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one;Angelica Extract Powder;3-BUTYLIDEN-4,5-DIHYDRO-3H-ISOBENZOFURAN-1-ONE |
| CAS: | 4431-01-0 |
| MF: | C12H14O2 |
| MW: | 190.24 |
| EINECS: | |
| Product Categories: | chemical reagent;pharmaceutical intermediate;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract |
| Mol File: | 4431-01-0.mol |
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Ligustilide 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) |
Safety Information
| 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 |
Ligustilide Usage And Synthesis
| Chemical Properties | Pale yellow liquid, easily soluble in methanol, chloroform, ether, insoluble in water, derived from Chuanxiong and Angelica sinensis. |
| Uses | Ligustilide, is a dihydrophthalide, and an active ingredients of umbelliferous plants as Angelica sinensis and Ligusticum chuanxiong, having wide range of pharmacology effects on neuroprotection, vasodilatation, anti-caner and anti-tumor, analgesia and anti-inflammation. |
| Definition | ChEBI: A natural product found in Ligusticum porteri. |
| Biological Activity | Ligustilide can inhibit the proliferation of and cell cycle progression of vascular smooth muscle cells and inhibits vasoconstriction. It increases vasodilation, anti-thrombosis, and serotonergic activity and decreases platelet aggregation. It has been shown to have broad applications in the study and treatment of cardiovascular diseases and ischemic brain injury. Ligustilide has the ability to reduce neurogenic and inflammatory pain. Thus, it can be used as a potential therapeutic agent to tre at several pain syndromes including primary dysmenorrhoea. |
Ligustilide Preparation Products And Raw materials
