Ligustilide | CAS No. 4431-01-0

Ligustilide

Basic Information

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CAS Number

4431-01-0

Molecular Formula

C12H14O2

Molecular Weight

190.24 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Oil

Melting Point

297-298oC

Boiling Point

377.9 °C at 760 mmHg

Density

1.1000

Flash Point

158.6 °C

Solubility

Methanol,Ethyl Acetate,Petroleum ether,DMSO,Acetontrile

Refractive Index

1.544

SMILES

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CCCC=C1C2=C(C=CCC2)C(=O)O1

InChI

InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8-

InChIKey

IQVQXVFMNOFTMU-FLIBITNWSA-N

LogP

2.873800000000001

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

345

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

cis-ligustilide
AKOS006276856
MFCD01861511
CCG-266505
Z-ligustilide
1ST40092
1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-
Ligustilide, >=98% (HPLC)
BDBM50441016
10HE68JD06
3-Butyliden-4,5-dihydro-3H-isobenzofuran-1-one
3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone,3-butylidene-4,5-dihydro-;(3Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
SCHEMBL11967666
AC-8049
trans-ligustilide
(E)-Ligustilide
(3Z)-3-butylidene-4,5-dihydroisobenzofuran-1-one
HY-N0401
F30153
Ligustilide, (E)-
A826540
CHEBI:68232
Ligustilide
Spectrum5_000551
Q27136725
CS-5299
3-butylidene-4,5-dihydrophthalide
C16987
BCP09458
Q-100482
(Z)-Ligustilide

MDL Number

MFCD01861511

FAQ

What is Ligustilide (CAS: 4431-01-0)?

Ligustilide is a natural compound found in the roots of certain plants, such as Angelica sinensis. It has the chemical formula C14H14O2 and is known for its unique aromatic properties and potential therapeutic applications. Ligustilide is commonly used in traditional medicine and is also a subject of interest in modern pharmacological research due to its bioactive characteristics.

What are the main uses of Ligustilide (CAS: 4431-01-0)?

Ligustilide is primarily used in pharmaceuticals for its potential anti-inflammatory, antioxidant, and neuroprotective properties. It also finds applications in the food industry as a natural flavoring agent and in research for studying its effects on vascular and neurological functions. Its use in traditional Chinese medicine is well documented for promoting blood circulation and reducing pain.

Is Ligustilide (CAS: 4431-01-0) safe?

Ligustilide is generally considered safe when used in appropriate amounts and under proper handling conditions. However, it is important to follow safety guidelines to avoid potential irritation or adverse effects, especially when working with concentrated forms. Safety standards for Ligustilide are typically aligned with those for natural compounds and are subject to regulation in pharmaceutical and food applications.

How should Ligustilide (CAS: 4431-01-0) be stored?

Ligustilide should be stored in a cool, dry, and dark place to maintain its stability and potency. It is best kept in a sealed container away from moisture and direct sunlight. Proper storage conditions help prevent degradation and ensure the compound remains effective for its intended uses.