Ligustilide

Name: Ligustilide
Brand: Vaqora Chemicals
SKU: VQ-040486

About Ligustilide

Listed under CAS 4431-01-0, Ligustilide is an API impurity reference standard available from Vaqora Chemicals. With the molecular formula C12H14O2, it has a molar mass of 190.24 g/mol. The IUPAC name is (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one. Alternative names: (Z)-Ligustilide and Z-ligustilide.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Danger” with 1 hazard statement. Review the Safety Data Sheet before use.

As a characterised impurity of the parent drug substance, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies Ligustilide in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Specifications & identifiers

Chemical identifiers
Product name	Ligustilide
Catalogue No.	VQ-040486
CAS Number	4431-01-0
IUPAC name	(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
Molecular formula	C₁₂H₁₄O₂
Molecular weight	190.24 g/mol
Exact mass	190.0994
Grade	Reference Standard
HSN code	38229090
InChIKey	IQVQXVFMNOFTMU-FLIBITNWSA-N
SMILES	CCC/C=C\1/C2=C(C=CCC2)C(=O)O1
PubChem CID	5319022

Physical properties
Physical form	Solid
LogP (XLogP3)	2.7
H-bond donors / acceptors	0 / 2
TPSA	26.3 Å²
Synonyms	(3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one, (Z)-Ligustilide, Z-ligustilide, Ligustilide A, cis-ligustilide, (Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one, 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3Z)-, 3-butylidene-4,5-dihydrophthalide, 3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one, 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, trans-ligustilide, 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (Z)-

Safety & hazard information (GHS)

Toxic

Signal word: Danger

Hazard statements

H301Toxic if swallowed

Precautionary statements: P264, P270, P301 + P316, P321, P330, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Ligustilide?

The CAS Registry Number of Ligustilide is 4431-01-0. It is also known as (3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one, (Z)-Ligustilide, Z-ligustilide.

What is the molecular formula and molecular weight of Ligustilide?

Ligustilide has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one.

Which grade and pack sizes of Ligustilide can I order?

We supply Ligustilide in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Ligustilide?

Yes. Every lot of Ligustilide is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Ligustilide be shipped internationally?

Yes. Ligustilide is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.