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· · COA & SDS available for every product · Same-day shipping on in-stock items 5,6-Dimethoxy-3H-isobenzofuran-1-one - ≥97% , CAS No.759409-69-3
Synonyms
F11028 | 1(3H)-Isobenzofuranone,6-dimethoxy- | SPBio_001864 | A838556 | Q27194441 | CHEBI:113547 | DTXSID20282301 | SY112692 | 5,6-dimethoxy-phthalide | 5,6-dimethoxy-1(3H)-Isobenzofuranone | AB00052752-02 | AKOS000265096 | CCG-37504 | BRD-K94324294-001-0
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
F11028 | 1(3H)-Isobenzofuranone, 6-dimethoxy- | SPBio_001864 | A838556 | Q27194441 | CHEBI:113547 | DTXSID20282301 | SY112692 | 5, 6-dimethoxy-phthalide | 5, 6-dimethoxy-1(3H)-Isobenzofuranone | AB00052752-02 | AKOS000265096 | CCG-37504 | BRD-K94324294-001-0
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles COC1=C(C=C2C(=C1)COC2=O)OC IUPAC Name 5,6-dimethoxy-3H-2-benzofuran-1-one InChIKey UKFAWRZYFYOXEG-UHFFFAOYSA-N INCHI 1S/C10H10O4/c1-12-8-3-6-5-14-10(11)7(6)4-9(8)13-2/h3-4H,5H2,1-2H3 Isomeric SMILES COC1=C(C=C2C(=C1)COC2=O)OC Molecular Weight 194.19 Reaxy-Rn 145392 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=145392&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 Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Isocoumarans Subclass Isobenzofuranones Intermediate Tree Nodes Not available Direct Parent Phthalides Alternative Parents Anisoles Alkyl aryl ethers Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteropolycyclic compounds Substituents Phthalide - Anisole - Alkyl aryl ether - Benzenoid - Lactone - Carboxylic acid ester - Oxacycle - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound Description This compound belongs to the class of organic compounds known as phthalides. These are compounds containing a 3-hydrocarbylidene-2-benzofuran-1(3H)-one moiety,. External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Refractive Index n20D1.55 (Predicted) Boil Point(°C) ~403.0° C at 760 mmHg (Predicted) Melt Point(°C) 94.32° C (Predicted) Molecular Weight 194.180 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 2 Exact Mass 194.058 Da Monoisotopic Mass 194.058 Da Topological Polar Surface Area 44.800 Ų Heavy Atom Count 14 Formal Charge 0 Complexity 228.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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