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: 2026-04-22 18:57:36
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
New Products
2-(2-Ethoxyphenoxy)ethyl bromide 1,3-Dibromo-2,2-dimethoxypropane 8-Bromo-7-(2-butynyl)-3-methyl xanthine 5-Chlorothiophene-2-carboxylic acid 8-Bromo-3-methyl xanthine Maleic hydrazide o-Anisaldehyde 4-Bromobenzaldehyde 3-Fluorobenzaldehyde 2-Chlorobenzaldehyde 3-Amino-3-(3-fluorophenyl)propanoic acid 1-Propyl-4-piperidone 2,3-Dihydro-5,6-dimethoxy-2-(4-piperidinylmethyl)-1H-inden-1-one hydrochloride 3-(4-Bromo-3-methyl-2-oxo-2,3-dihydro-1h-benzo[d]imidazol-1-yl)piperidine-2,6-dione 2-Fluoro-6-iodobenzoic acid 3-Pyridineacrylic acid 1-Boc-4-cyanopiperidine ethyl 2-oxo-2,3,9,10-tetrahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline-8(7H)-carboxylate Vardenafil Bis-sulphonamide(Dimer) Nitroso Irbesartan N-Nitroso Nortriptyline Sulfonic acid Impurity 2-(p-Tolyl)acetaldehyde 2,2-dibromo-1-cyclopropyl-2-(2-fluorophenyl)ethan-1-oneRelated products of tetrahydrofuran
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