3-Butylidenephthalide
- CAS NO.：551-08-6
- Empirical Formula: C12H12O2
- Molecular Weight: 188.22
- MDL number: MFCD00047319
- EINECS: 208-991-3
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-12-18 13:37:16
What is 3-Butylidenephthalide?
Chemical properties
3-Butylidenephthalide has a pervasive warm spicy aroma.
Occurrence
Reported as occurring naturally in the fruits and roots of Ligusticum acutilobum and lovage (Levisticum officinale) seeds, roots and leaves.
The Uses of 3-Butylidenephthalide
3-Butylidenephthalide is a phthalide derivative useful for control of sensation disorder and olfaction disorder.
Definition
ChEBI: A gamma-lactone that is phthalide substituted by a butylidene group at position 3. Isolated from Ligusticum porteri, it exhibits hypoglycemic activity.
Taste threshold values
Taste characteristics at 15 ppm: celery, green, vegetable-like with a herbal nuance.
General Description
3-Butylidenephthalide is a bioactive phthalide compound of Chuanxiong rhizoma, a Chinese herbal medicine used for treating headache obtained from the root of Ligusticum chuanxiong Hort.
Safety Profile
Moderately toxic by ingestion. A skin irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Properties of 3-Butylidenephthalide
| Melting point: | 82.5°C |
| Boiling point: | 139-142 °C/5 mmHg (lit.) |
| Density | 1.103 g/mL at 25 °C (lit.) |
| refractive index | n |
| FEMA | 3333 | 3-BUTYLIDENEPHTHALIDE |
| Flash point: | >230 °F |
| storage temp. | Refrigerator |
| solubility | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| form | Oil |
| color | Colourless to Yellow |
| Odor | at 10.00 % in dipropylene glycol. herbal lovage celery |
| JECFA Number | 1170 |
| BRN | 5145 |
| CAS DataBase Reference | 551-08-6(CAS DataBase Reference) |
| EPA Substance Registry System | 1(3H)-Isobenzofuranone, 3-butylidene- (551-08-6) |
Safety information for 3-Butylidenephthalide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral |
| Precautionary Statement Codes |
P264:Wash hands thoroughly after handling. P264:Wash skin thouroughly after handling. P270:Do not eat, drink or smoke when using this product. P330:Rinse mouth. |
Computed Descriptors for 3-Butylidenephthalide
| InChIKey | WMBOCUXXNSOQHM-FLIBITNWSA-N |
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