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Heterocyclic building blocks

Ligustilide

Also known as (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one, (3E)-3-butylidene-1,3,4,5-tetrahydro-2-benzofuran-1-one, (Z)-Ligustilide

CAS 4431-01-0Formula C12H14O2Molar mass 190.24 g/molEC 694-690-6
GHS signal word: Danger. Pictograms: Acute toxicity (severe) 16 suppliers listed
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Ligustilide chemical structure, C12H14O2, CAS 4431-01-0
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
4431-01-0
Formula
C12H14O2
Molar mass
190.24 g/mol
EC number
694-690-6
HS code
293220
Category
Heterocyclic building blocks

What is Ligustilide?

Plain description, key identifiers and synonyms

(Z)-ligustilide is a butenolide. It has a role as a metabolite.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
CAS number
4431-01-0Other or deprecated CAS: 81944-09-4
EC numbers
694-690-6, 809-243-4
Molecular formula
C12H14O2
UNII
10HE68JD06
MDL number
MFCD01861511
InChIKey
IQVQXVFMNOFTMU-FLIBITNWSA-N
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-
Canonical SMILES
CCCC=C1OC(=O)C2=C1CCC=C2
Isomeric SMILES
CCC/C=C\1/C2=C(C=CCC2)C(=O)O1

Synonyms

  • (3Z)-3-butylidene-4,5-dihydro-2-benzofuran-1-one
  • (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
  • (3Z)-3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone
  • 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)-
  • Ligusticide
  • Ligustilide?
  • Ligustilide, (E)-
  • 3-Butyliden-4,5-dihydro-3H-isobenzofuran-1-one
  • (3Z)-3-butylidene-4,5-dihydroisobenzofuran-1-one
  • Z-Ligustilide, in acetonitrile
  • Z-Ligustilide - in acetonitrile
  • Ligustilide, >=98% (HPLC)
  • 3-butylidene-4,5-dihydro-1(3H)-isobenzofuranone, 3-butylidene-4,5-dihydrophthalide
  • (Z)-3-butylidene-3,4-dihydro phthalide
  • (E)-6,7-transdihydroxyChemicalbookligustilide
Show all 28 synonyms
  • 4,5-dihydro-3,1'-dihydroxy-3-pentylphthalide
  • LIGUSTILIDE, Z-(IN ACETONITRILE)(10.2Mg/ML)(P)
  • (1E)-2-(4-Chlorophenyl)-3-(4-morpholinyl)-N-[(Z)-4-pyridinylmethylidene]-3-thioxo-1-propen-1-amine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
190.24 g/molcalc.
Exact mass
190.0994 Dacalc.
LogP (octanol/water)
2.87calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
2calc.
Heavy atoms
14calc.
Rings
2calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.42calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, C=C1OC(=O)C2=C1CCC=C2

C=C1OC(=O)C2=C1CCC=C2

2 rings, 11 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)

Hazard statements

  • H301Toxic if swallowed.
Precautionary statements (7)
  • P264Wash skin thoroughly after handling.
  • P270Do not eat, drink or smoke when using this product.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Ligustilide suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 16 suppliers
16 of 16 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

16 suppliers in 4 countries

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Ligustilide price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Roles

  • metabolite

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Ligustilide is traded under.

HS 2932.20Indicative HS code

Lactones

World exports in 2024
$1.97B
−4.7% vs 2023, imports $2.07B
2019 to 2024
Top exporters
  1. China56.3%
  2. India * partner reported7.4%
  3. Germany7.3%
Top importers
  1. United States14.2%
  2. India * partner reported13.5%
  3. Brazil8.5%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Ligustilide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Ligustilide, based on the data on this page

What is Ligustilide?

(Z)-ligustilide is a butenolide. It has a role as a metabolite.

What is the CAS number of Ligustilide?

The CAS registry number of Ligustilide is 4431-01-0. Other or deprecated CAS numbers: 81944-09-4.

What is the molecular formula and weight of Ligustilide?

The molecular formula of Ligustilide is C12H14O2 and its molar mass is 190.24 g/mol.

What is Ligustilide used for?

Known uses and roles of Ligustilide include building blocks in research and laboratory, screening compounds in research and laboratory and metabolite.

Is Ligustilide hazardous?

Ligustilide carries the GHS signal word "Danger". Main hazards: toxic if swallowed. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Ligustilide?

Ligustilide is usually classified under HS code 293220 (Lactones). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Ligustilide?

CompoundList lists 16 suppliers of Ligustilide in China, United States, Israel and Thailand. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Ligustilide?

Suppliers quote Ligustilide on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Ligustilide

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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