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W333301

Sigma-Aldrich

3-Butylidenephthalide

mixture of cis and trans isomers, ≥96%, FG

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About This Item

Empirical Formula (Hill Notation):
C12H12O2
CAS Number:
551-08-6
Molecular Weight:
188.22
FEMA Number:
3333
EC Number:
208-991-3
Council of Europe no.:
10083
MDL number:
MFCD00047319
UNSPSC Code:
12164502
PubChem Substance ID:
24901649
Flavis number:
10.024
NACRES:
NA.21

biological source

synthetic

grade

FG
Halal
Kosher

reg. compliance

EU Regulation 1334/2008 & 872/2012
FDA 21 CFR 110

Assay

≥96%

refractive index

n20/D 1.577 (lit.)

bp

139-142 °C/5 mmHg (lit.)

density

1.103 g/mL at 25 °C (lit.)

application(s)

flavors and fragrances

Documentation

see Safety & Documentation for available documents

food allergen

no known allergens

Organoleptic

herbaceous

SMILES string

CCC\C=C1/OC(=O)c2ccccc12

InChI

1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-

InChI key

WMBOCUXXNSOQHM-FLIBITNWSA-N

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.

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H302,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Sunny Sun-Kin Chan et al.
Journal of ethnopharmacology, 122(2), 308-312 (2009-02-03)
Ligusticum chuanxiong Hort. (Umbelliferae), a traditional Chinese medicinal herb, is often prescribed together with nitric oxide donors for treating coronary heart diseases such as angina in China; however, studies concerning their pharmacological interaction are scarce. The objective of the present
Pharmacodynamic action and mechanism of volatile oil from Rhizoma Ligustici Chuanxiong Hort. on treating headache.
Peng C, et al.
Phytomedicine, 16(1), 25-34 (2004)
Yung-Luen Yu et al.
Journal of agricultural and food chemistry, 58(3), 1630-1638 (2010-01-02)
Epigenetic alteration of DNA methylation plays an important role in the regulation of gene expression associated with chemosensitivity of human hepatocellular (HCC) carcinoma cells. With the aim of improving the chemotherapeutic efficacy for HCC, the effect of the naturally occurring
Ju-Ching Yeh et al.
Journal of chromatography. A, 1236, 132-138 (2012-03-31)
In natural product research, it is a common experience that fractionation of biologically-active crude extracts can lead to the loss of their original activity. This is attributed to synergistic effects, where two or more components are required to be present
Li-Fu Chang et al.
Journal of surgical oncology, 103(5), 442-450 (2011-01-20)
In previous study, n-butylidenephthalide (BP), a natural compound from Angelica sinensis, has anti-glioblastoma multiform (GBM) cell effects. In this study, we modified BP structure to increase anti-GBM cell effects. The anti-GBM cell effects of one derivative of BP, (Z)-N-(2-(dimethylamino)ethyl)-2-(3-((3-oxoisobenzofuran-1(3H)-ylidene)methyl)phenoxy)acetamide (PCH4)
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