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Safety Information

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 3 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

W333301-100G-K:4548173977171
W333301-5KG:
W333301-BULK-K:
W333301-5KG-K:4548173977195
W333301-1KG:
W333301-100G:
W333301-1KG-K:4548173977188
W333301-SAMPLE:
W333301-SAMPLE-K:
W333301-VAR-K:

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Certificates of Analysis (COA)

Lot/Batch Number
STBD9827V
STBF8466V
MKBZ7970V
STBG2912V
MKBX3045V

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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)
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
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
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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