ChemicalBook--->CAS DataBase List--->6066-49-5

6066-49-5

6066-49-5 Structure

6066-49-5 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack 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
[Biological Activity]

3-N-Butylphthalide (NBP), a family of compounds initially isolated from the seeds of Apium graveolens Linn., has shown significant neuroprotective effects.[1]
[References]

[1] A Review of Recent Advances in Neuroprotective Potential of 3-N-Butylphthalide and Its Derivatives. DOI:10.1155/2016/5012341
Spectrum DetailBack Directory
[Spectrum Detail]

3-N-BUTYLPHTHALIDE(6066-49-5)1HNMR
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