W333301

Sigma-Aldrich

3-Butylidenephthalide

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

Empirical Formula (Hill Notation):
C12H12O2
CAS Number:
Molecular Weight:
188.22
FEMA Number:
3333
EC Number:
Council of Europe no.:
10083
MDL number:
PubChem Substance ID:
Flavis number:
10.024
NACRES:
NA.21

Quality Level

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.)

Documentation

see Safety & Documentation for available documents

Featured Industry

Flavors and Fragrances

Organoleptic

herbaceous

food allergen

no known allergens

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.

Packaging

100 g in glass bottle
1 kg in glass bottle
5 kg in poly drum

Other Notes

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Pictograms

Exclamation markEnvironment

Signal Word

Warning

Hazard Statements

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

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)
Po-Cheng Lin et al.
Journal of neurochemistry, 106(3), 1017-1026 (2008-04-19)
The natural compound n-butylidenephthalide (BP), which is isolated from the chloroform extract of Angelica sinensis, has been investigated for its antitumoral effects on glioblastoma multiform (GBM) brain tumors both in vitro and in vivo. To determine the mechanism of BP-induced...
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)...
Chyou-wei Wei et al.
Acta pharmacologica Sinica, 30(9), 1297-1306 (2009-08-25)
To investigate the role of hTERT gene expression and AP-2alpha in n-butylidenephthalide (n-BP)-induced apoptosis in A549 lung cancer cells. Viability of A549 cells was measured by MTT assay. Protein expression was determined by Western blot. Telomerase activity was measured using...

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