3-Butylidenephthalide
Request a quote| Catalog Number | ACM551086-1 |
| Product Name | 3-Butylidenephthalide |
| CAS Number | 551-08-6 |
| Structure |  |
| Description | 3-Butylidenephthalide (Butylidenephthalide) is a phthalic anhydride derivative identified in Ligusticum chuanxiong Hort, and has larvicidal activity (LC50 of 1.56 mg/g for Spodoptera litura larvae). |
| IUPAC Name | (3Z)-3-Butylidene-2-benzofuran-1-one |
| Synonyms | 3-Butylidene-1(3H)-isobenzofuranone |
| Molecular Weight | 188.22 |
| Molecular Formula | C12H12O2 |
| Canonical SMILES | CCCC=C1C2=CC=CC=C2C(=O)O1 |
| Inchi | InChI=1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8- |
| InChIKey | WMBOCUXXNSOQHM-FLIBITNWSA-N |
| Boiling Point | 139-142 °C |
| Melting Point | 82.5 °C |
| Flash Point | >230 °F |
| Purity | 98%+ |
| Density | 1.103 g/mL at 25 °C(lit.) |
| Solubility | Insoluble in water; soluble in oils |
| Appearance | Oil |
| Storage | 4°C, sealed storage, away from moisture and light*In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture and light) |
| Physical State | Liquid |
| Refractive Index | n20/D 1.577(lit.) |
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