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

CAS: 551-08-6 Cat. No.: B424696 Formule: C12H12O2 Poids moléculaire: 188.22 Numéro CE: 208-991-3
3 Citations COA
3-Butylidenephthalide - 10mM in DMSO CAS No(551-08-6) by Aladdin Scientific
DISPONIBLE À COMMANDE
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
Allemagne (EU)
USA*
Price
Qty
1ml
B424696-1ml
—
2 En stock

51,11€

60,65€
Enregistrer 9,55 € (15.74%)
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SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Vue d’ensemble Specifications Noms et identifiants Documentation Advanced Data Taxonomic Classification Structure 3D Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Citations of This Product Calculateurs de solution Avis
🧪
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.

Vue d’ensemble

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

Synonymes
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
Spécifications et pureté
10mM in DMSO
Conditions de stockage de stockage
Store at -80°C
Expédié en
Dry ice packs + Cold packs
Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.
Noms et identifiants
Pubchem Sid
528768941
Sourires canoniques
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-
Isomères SMILES
CCC/C=C\1/C2=CC=CC=C2C(=O)O1
WGK Allemagne
3
RTECS
TI3692500
Poids moléculaire
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.

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📊 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
DescriptionThis 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
Structure 3D
Modèle de structure chimique interactif





Cibles associées (non humaines)
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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
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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
Mécanismes d'action
Certificats (CoA, COO, BSE/TSE et tableau d'analyse)
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 TypeDateArticle
L2409727Certificate of AnalysisOct 12, 2026 B424696
Propriétés chimiques et physiques
Indice de réfractionn20/D 1.577
Point d'ébullition (°C)139-142 °C/5 mmHg
Poids moléculaire188.220 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
Calculateurs de solution
Avis

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