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4431-01-0

Basic Information
CAS No.: 4431-01-0
Name: Ligustilide
Molecular Structure:
Molecular Structure of 4431-01-0 (Ligustilide)
Formula: C12H14O2
Molecular Weight: 190.24
Synonyms: 1,5-Cyclohexadiene-1-carboxylicacid, 2-(1-hydroxy-1-pentenyl)-, g-lactone (7CI);Ligustilide (6CI);Phthalide, 3-butylidene-4,5-dihydro-(8CI);3-Butylidene-4,5-dihydrophthalide;
Density: 1.1 g/cm3
Melting Point: 297-298ºC
Boiling Point: 377.9 °C at 760 mmHg
Flash Point: 158.6 °C
Appearance: Yellow brown powder
Risk Codes: 22/23
Safety: 24/25
PSA: 26.30000
LogP: 2.87380
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  • Casno:

    4431-01-0

    Angelica sinensis Extract

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 9.0-9.0

    Xi'an Macale Biotechnology Co., Ltd. was established in 2012. It is a high-tech professional and technical enterprise integrating R & D, production and sales. Located in the world-famous historical capital-the ancient city of Xi'an. Ma

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    Tel:86-199-19991242181

    Address:Room 901, Block B, Kairui, Mingguang Road,Xi'an,Shaanxi

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  • Ligustilide

  • Casno:

    4431-01-0

    Ligustilide

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    Appearance:95%+ Package:R&D,Pilot run Transportation:per client require Port:Express ,Air, Sea

    Hunan chemfish Pharmaceutical co.,Ltd.located in Lugu High-tech industral park ,Hunan province . with its own R&D center and more than 10000㎡manufacture plant . Chemfish owns

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    Business Type:Manufacturers

    Tel:0731-85567275

    Address:No.10048, xiangjiang centry bulding ,kaifu district ,changsha city ,Hunan

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  • Ligustilide

  • Casno:

    4431-01-0

    Ligustilide

    Min.Order: 0 Metric Ton

    FOB Price:  USD $ 0.0-0.0

    The quality is guaranteed. If you find the product is wrong compared with COA, we promise 100% refund or change product. COA and HPLC will be shipped out with goods. You can also inform your analysis method and we will follow your analysis me

    Located in Zhangjiang High-tech Park , Shanghai , the building of Shanghai Tauto Biotech Co., Ltd. occupies a 2-hectare floor space and boasts a building area of 20,000 square mete

  •  shanghai Tauto Biotech Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Manufacturers

    Tel:+86-21-51320588 ext. 8025

    Address:No. 326, Aidisheng Rd , Zhangjiang Hi-tech Park, Shanghai , P.R.CHINA

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  • Ligustilide

  • Casno:

    4431-01-0

    Ligustilide

    Min.Order: 0

    FOB Price:  USD $ 0.0-0.0

    LIDE PHARMACEUTICALS LIMITED is a professional leading manufacturer of chemicals and APIs in China. Our core business line covers APIs, Intermediates, Flavours and fragrances, Specialty chemicals, Dietary additives etc.We are specialized in chemical

    LIDE PHARMACEUTICALS LIMITED is one of the fastest growing pharmaceutical company in China. We have developed strategic partnership with our manufacturing associates having state o

  •  LIDE PHARMACEUTICALS LIMITED

    China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:+86-25-58409506

    Address:11F, Building A1, No.288 North Zhongshan Road, Gulou District, Nanjing,210003, P.R.China.

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  • Angelica P.E. CAS NO.4431-01-0 CAS NO.4431-01-0

  • Casno:

    4431-01-0

    Angelica P.E. CAS NO.4431-01-0 CAS NO.4431-01-0

    Min.Order: 1 Metric Ton

    FOB Price:  USD $ 1.0-1.0

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production as well as custom synthesis for chemical products and chemical business project. We are supp

    We are a Union of chemistry in China, consists of chemists,engineers, laboratories,factories in China. We organize surplus capacity of R&D and production in China for chemicals cus

  •  Bluecrystal chem-union

    China (Mainland)  |  Contact Details

    Business Type:Trading Company

    Tel:+86-1895157

    Address:Liang Xi Qu

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  • TAINFUCHEM:  	Ligustilide

  • Casno:

    4431-01-0

    TAINFUCHEM: Ligustilide

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Product Name: Ligustilide Synonyms: 3-BUTYLIDEN-4,5-DIHYDRO-3H-ISOBENZOFURAN-1-ONE;3-BUTYLIDENE-4,5-DIHYDROPHTHALIDE;LIGUSTILIDE;LIGUSTILIDE, Z-;Z-LIGUSTILIDE;3-Butylidene-4,5-dihydro-1(3H)-isobenzofuranone;1(3H)-Isobenzofuranone,3-butylidene-4,5-

    Our company engages in Electronic chemicals such as OLED,Photoresist chemical,Electrolyte additive and Intermediate Pharmaceutical production; development of noble metal catalysts,

  •  Henan Tianfu Chemical Co., Ltd.

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-371-55170693/55170694

    Address:Zhengzhou International Trade New Territory,Jinshui District,Zhengzhou ,China

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Specification

The systematic name of this chemical is 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-. With the CAS registry number 4431-01-0, it is also named as Ligustilide. In addition, the molecular formula is C12H14O2 and the molecular weight is 190.24. This chemical can be found in Umbelliferae plants.

Physical properties about this chemical are: (1)ACD/LogP: 2.63; (2)ACD/LogD (pH 5.5): 2.63; (3)ACD/LogD (pH 7.4): 2.63; (4)ACD/BCF (pH 5.5): 58.69; (5)ACD/BCF (pH 7.4): 58.69; (6)ACD/KOC (pH 5.5): 642.02; (7)ACD/KOC (pH 7.4): 642.02; (8)#H bond acceptors: 2 ; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 26.3 Å2; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 54.42 cm3; (13)Molar Volume: 172.2 cm3; (14)Polarizability: 21.57 ×10-24cm3; (15)Surface Tension: 38.4 dyne/cm; (16)Density: 1.1 g/cm3; (17)Flash Point: 158.6 °C; (18)Enthalpy of Vaporization: 62.57 kJ/mol; (19)Boiling Point: 377.9 °C at 760 mmHg; (20)Vapour Pressure: 6.55E-06 mmHg at 25°C.

Preparation of 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-: it can be prepared by (Z,Z')-diligustilide. This reaction will need solvent toluene. The yield is about 60% by heating.

1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro- can be prepared by (Z,Z')-diligustilide.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2O/C(C1=C2\C=C/CC1)=C\CCC
(2)InChI: InChI=1/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-
(3)InChIKey: IQVQXVFMNOFTMU-FLIBITNWBE