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3-Butylidenephthalide - 10mM in DMSO , CAS No.551-08-6

CAS: 551-08-6 Cat. No.: B424696 Fórmula: C12H12O2 Peso molecular: 188.22 Número CE: 208-991-3
3 Citations COA
3-Butylidenephthalide - 10mM in DMSO CAS No(551-08-6) by Aladdin Scientific
Disponível para encomenda
GRADE & PURITY 10mM in DMSO
Synonyms
InChI=1/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8 | BUTYLIDENEPHTHALIDE, (Z)- | NSC325307 | NSC-325307 | (Z)-3-butylideneisobenzofuran-1(3H)-one | 3-Butylideneisobenzofuran-1(3H)-one | WMBOCUXXNSOQHM-FLIBITNWSA-N | AC-34145 | 3
Storage
Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Alemanha (EU)
USA*
Price
Qty
1ml
B424696-1ml
—
2 Em stock

51,11€

60,65€
Gravar 9,55 € (15.74%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Visão geral Specifications Nomes e identificadores Documentation Advanced Data Taxonomic Classification Estrutura 3D Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Citations of This Product Calculadoras de soluções Revisões
🧪
Why this grade

10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Visão geral

3-Butylidenephthalide is a bioactive phthalide compound of Chuanxiong rhizoma, a Chinese herbal medicine used for treating headache obtained from the root of Ligusticum chuanxiong Hort.

Specifications

Sinónimos
InChI=1/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8 | BUTYLIDENEPHTHALIDE, (Z)- | NSC325307 | NSC-325307 | (Z)-3-butylideneisobenzofuran-1(3H)-one | 3-Butylideneisobenzofuran-1(3H)-one | WMBOCUXXNSOQHM-FLIBITNWSA-N | AC-34145 | 3
Especificações e pureza
10mM in DMSO
Condições de armazenamento de armazenamento
Store at -80°C
Enviado em
Dry ice packs + Cold packs
Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.
Nomes e identificadores
Pubchem Sid
528768941
Sorrisos canónicos
CCCC=C1C2=CC=CC=C2C(=O)O1
IUPAC Name
(3Z)-3-butylidene-2-benzofuran-1-one
InChIKey
WMBOCUXXNSOQHM-FLIBITNWSA-N
INCHI
1S/C12H12O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-8H,2-3H2,1H3/b11-8-
SMILES isoméricas
CCC/C=C\1/C2=CC=CC=C2C(=O)O1
WGK Alemanha
3
RTECS
TI3692500
Peso molecular
188.22
Reaxy-Rn
5145
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5145&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClasseIsocoumarans
SubclassIsobenzofuranones
Intermediate Tree Nodes Not available
Direct ParentIsobenzofuranones
Alternative Parents Benzenoids  Enol esters  Lactones  Oxacyclic compounds  Monocarboxylic acids and derivatives  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents Isobenzofuranone - Benzenoid - Enol ester - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
DescriçãoThis compound belongs to the class of organic compounds known as isobenzofuranones. These are compounds containing a 2-benzofuran moiety that carries an oxo group at the 1 position.
External Descriptors 2-benzofurans - gamma-lactone
Estrutura 3D
Modelo de Estrutura Química Interativa





Alvos associados (não humanos)
Htr7 Serotonin 7 (5-HT7) receptor (19 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Drosophila melanogaster (359 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Ctenocephalides felis (292 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Bemisia tabaci (599 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasma (328 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Dermatophagoides farinae (123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mecanismos de ação
Certificados（CoA,COO,BSE/TSE e Mapa de Análise)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

1 results found

Lot NumberCertificate TypeDataItem
L2409727Certificate of AnalysisOct 12, 2026 B424696
Propriedades químicas e físicas
Índice de refraçãon20/D 1.577
Ponto de ebulição (°C)139-142 °C/5 mmHg
Peso molecular188.220 g/mol
XLogP33.200
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass188.084 Da
Monoisotopic Mass188.084 Da
Topological Polar Surface Area26.300 Ų
Heavy Atom Count14
Formal Charge0
Complexity255.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Citations of This Product
How to Cite Aladdin Scientific Products? Citations Search
Calculadoras de soluções
Revisões

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