3-N-Butylphthalide
- CAS NO.：6066-49-5
- Empirical Formula: C12H14O2
- Molecular Weight: 190.24
- MDL number: MFCD01704513
- EINECS: 228-000-8
- SAFETY DATA SHEET (SDS)
- Update Date: 2026-07-27 17:00:41
What is 3-N-Butylphthalide?
Chemical properties
3-N-Butylphthalide has a warm, spicy herbaceous odor.
Occurrence
Reported found in Levisticum officinale (lovage) and L. acutilobum; also in celery oil.
The Uses of 3-N-Butylphthalide
3-Butylphthalide is a cardiovascular drug used for the treatment of cerebral ischemic stroke.
What are the applications of Application
3-n-Butylphthalide is a lipophilic molecule found in celery reported to have antihypertensive effects
Preparation
From celery oil; from phthalide via bromination and subsequent reaction of the resulting phthalidic acid with n-butyl magnesium bromide.
Definition
ChEBI: Butylphthalide is a member of benzofurans.
Aroma threshold values
Detection: 5 ppb
Properties of 3-N-Butylphthalide
| Boiling point: | 265.75°C (rough estimate) |
| Density | 1.0527 (rough estimate) |
| refractive index | 1.5197 (estimate) |
| FEMA | 3334 | 3-N-BUTYLPHTHALIDE |
| storage temp. | Sealed in dry,Store in freezer, under -20°C |
| solubility | Chloroform (Slightly), Methanol (Slightly) |
| form | Oil |
| color | Colourless to Yellow |
| Odor | at 10.00 % in dipropylene glycol. herbal phenolic celery |
| JECFA Number | 1169 |
| Stability: | Hygroscopic |
| NIST Chemistry Reference | 3-Butylphthalide(6066-49-5) |
| EPA Substance Registry System | 1(3H)-Isobenzofuranone, 3-butyl- (6066-49-5) |
Safety information for 3-N-Butylphthalide
| Signal word | Warning |
| Pictogram(s) |
 Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
| Precautionary Statement Codes |
P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for 3-N-Butylphthalide
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