Skip to Content
MilliporeSigma
All Photos(1)

Key Documents

View All Documentation

W333301

Sigma-Aldrich

3-Butylidenephthalide

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

Sign Into View Organizational & Contract Pricing
All Photos(1)

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

signalword

Warning

hcodes

H302,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

235.4 °F - closed cup

flash_point_c

113 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
STBD9827V
STBF8466V
MKBZ7970V
STBG2912V
MKBX3045V

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

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)
Andreas Schinkovitz et al.
Journal of natural products, 71(9), 1604-1611 (2008-09-11)
Monomeric phthalides such as Z-ligustilide (1) and Z-butylidenephthalide (2) are major constituents of medicinal plants of the Apiaceae family. While 1 has been associated with a variety of observed biological effects, it is also known for its instability and rapid
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
Sheng-Chun Chiu et al.
PloS one, 7(3), e33742-e33742 (2012-04-04)
N-butylidenephthalide (BP) exhibits antitumor effect in a variety of cancer cell lines. The objective of this study was to obtain additional insights into the mechanisms involved in BP induced cell death in human prostate cancer cells. Two human prostate cancer
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service