ChemicalBook--->CAS DataBase List--->4431-01-0

4431-01-0

4431-01-0 Structure

4431-01-0 Structure
IdentificationBack Directory
[Name]

Ligustilide
[CAS]

4431-01-0
[Synonyms]

LIGUSTILIDE
Z-LIGUSTILIDE
LIGUSTILIDE, Z-
Ligustilide Oil
Angelica Extract Powder
Ligusticum chuanxiong oil
Angelic(sinensis (Oilv)Diels
Angelica tsinlingensis absolute
3-BUTYLIDENE-4,5-DIHYDROPHTHALIDE
3-[(Z)-Butylidene]-4,5-dihydrophthalide
3-BUTYLIDEN-4,5-DIHYDRO-3H-ISOBENZOFURAN-1-ONE
Ligustilide 3-Butylidene-4,5-dihydrophthalide
3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone
3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
1(3H)-Isobenzofuranone,3-butylidene-4,5-dihydro-
LIGUSTILIDE, Z-(IN ACETONITRILE)(1.0227mg/mL)(AHP)
3-BUTYLIDENE-4,5-DIHYDROPHTHALIDE ANGELICA EXTRACT
(3Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one
Ligustilide, 98%, from Angelica sinensis (Oliv.) Diels
3-[(Z)-Butylidene]-1,3,4,5-tetrahydroisobenzofuran-1-one
[Molecular Formula]

C12H14O2
[MDL Number]

MFCD01861511
[MOL File]

4431-01-0.mol
[Molecular Weight]

190.24
Chemical PropertiesBack Directory
[Boiling point ]

377.9±11.0 °C(Predicted)
[density ]

1.10±0.1 g/cm3(Predicted)
[storage temp. ]

-20°C, protect from light, stored under nitrogen
[solubility ]

DMSO : 100 mg/mL (525.65 mM; Need ultrasonic)
[form ]

Oil
[color ]

Colorless to light yellow
[Stability:]

Light Sensitive
[Major Application]

metabolomics
vitamins, nutraceuticals, and natural products
[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
[InChIKey]

IQVQXVFMNOFTMU-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(CCC=C2)C(=CCCC)O1
[LogP]

1.710 (est)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)Flame (GHS02)
GHS07,GHS08,GHS02
[Signal word ]

Danger
[Hazard statements ]

H315-H319-H361-H372-H335-H336-H304-H401-H225
[Precautionary statements ]

P501-P273-P260-P270-P202-P240-P210-P233-P201-P243-P241-P242-P271-P264-P280-P370+P378-P331-P308+P313-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P301+P310-P304+P340+P312-P403+P233-P403+P235-P405
[Risk Statements ]

22/23
[Safety Statements ]

24/25
[RIDADR ]

2810
[WGK Germany ]

WGK 3
[HS Code ]

29322090
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
Hazard InformationBack Directory
[Chemical Properties]

Pale yellow liquid, easily soluble in methanol, chloroform, ether, insoluble in water, derived from Chuanxiong and Angelica sinensis.
[Uses]

Ligustilide, is a dihydrophthalide, and an active ingredients of umbelliferous plants as Angelica sinensis and Ligusticum chuanxiong, having wide range of pharmacology effects on neuroprotection, vasodilatation, anti-caner and anti-tumor, analgesia and anti-inflammation.
[Definition]

ChEBI: A natural product found in Ligusticum porteri.
[Biological Activity]

Ligustilide can inhibit the proliferation of and cell cycle progression of vascular smooth muscle cells and inhibits vasoconstriction. It increases vasodilationanti-thrombosisand serotonergic activity and decreases platelet aggregation. It has been shown to have broad applications in the study and treatment of cardiovascular diseases and ischemic brain injury. Ligustilide has the ability to reduce neurogenic and inflammatory pain. Thusit can be used as a potential therapeutic agent to tre at several pain syndromes including primary dysmenorrhoea.
Spectrum DetailBack Directory
[Spectrum Detail]

Ligustilide(4431-01-0)MS
Ligustilide(4431-01-0)1HNMR
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