| Identification | Back Directory | [Name]
3-N-BUTYLPHTHALIDE | [CAS]
6066-49-5 | [Synonyms]
CL234
FEMA 3334
Butylphathlide
butylphthalide
3-butyl-phthalid
3-Butylphthalide
n-Butylphthalide
3-N-BUTYLPHTALIDE
3-n-Butylphathlide
3-N-BUTYLPHTHALIDE
3-N-Butylphehalide
n-Butylphthalide-035
Butylphthalide, 99.95%
BUTYLPHTHALIDE, 3-n-(P)
Butyphthalide impurity 49
3-Butylisobenzofuran-1(3H)
3-N-BUTYLPHTHALIDE USP/EP/BP
3-butyl-3H-2-benzofuran-1-one
3-butyl-1(3h)-isobenzofuranon
3-Butylisobenzofuran-1(3H)-one
3-butyl-1(3H)-Isobenzofuranone
Butylphthalide (Natural)
High quality 3-N-Butylphthalide
3-N-BUTYLPHTHALIDE CAS 6066 49 5
1(3H)-Isobenzofuranone, 3-butyl- | [EINECS(EC#)]
228-000-8 | [Molecular Formula]
C12H14O2 | [MDL Number]
MFCD01704513 | [MOL File]
6066-49-5.mol | [Molecular Weight]
190.24 |
| Chemical Properties | Back Directory | [Boiling point ]
265.75°C (rough estimate) | [density ]
1.0527 (rough estimate) | [FEMA ]
3334 | 3-N-BUTYLPHTHALIDE | [refractive index ]
1.5197 (estimate) | [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 | [Odor Type]
herbal | [JECFA Number]
1169 | [Stability:]
Hygroscopic | [Major Application]
metabolomics
vitamins, nutraceuticals, and natural products | [Cosmetics Ingredients Functions]
PERFUMING | [InChI]
1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3 | [InChIKey]
HJXMNVQARNZTEE-UHFFFAOYSA-N | [SMILES]
O=C1C2=CC=CC=C2C(CCCC)O1 | [LogP]
2.80 | [NIST Chemistry Reference]
3-Butylphthalide(6066-49-5) | [EPA Substance Registry System]
1(3H)-Isobenzofuranone, 3-butyl-(6066-49-5) |
| Safety Data | Back Directory | [WGK Germany ]
WGK 3 | [TSCA ]
TSCA listed | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [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. | [Uses]
3-Butylphthalide is a cardiovascular drug used for the treatment of cerebral ischemic stroke. | [Definition]
ChEBI: Butylphthalide is a member of benzofurans. | [Preparation]
From celery oil; from phthalide via bromination and subsequent reaction of the resulting phthalidic acid with n-butyl
magnesium bromide. | [Aroma threshold values]
Detection: 5 ppb |
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