≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature,Argon charged Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CCC2C(C1)C(=O)OC2=O |
|---|---|
| IUPAC Name | 5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione |
| InChIKey | OEMSKMUAMXLNKL-UHFFFAOYSA-N |
| INCHI | 1S/C9H10O3/c1-5-2-3-6-7(4-5)9(11)12-8(6)10/h2,6-7H,3-4H2,1H3 |
| Isomeric SMILES | CC1=CCC2C(C1)C(=O)OC2=O |
| Molecular Weight | 166.18 |
| Reaxy-Rn | 135751 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=135751&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Isobenzofurans |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Isobenzofurans |
| Alternative Parents | Dicarboxylic acids and derivatives Tetrahydrofurans Carboxylic acid anhydrides Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Substituents | Isobenzofuran - Dicarboxylic acid or derivatives - Tetrahydrofuran - Carboxylic acid anhydride - Lactone - Oxacycle - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as isobenzofurans. These are organic aromatic compounds containing an isobenzofuran moiety. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 B2628497 | Certificate of Analysis | Dec 11, 2025 | M138698 |
| B2628498 | Certificate of Analysis | Dec 11, 2025 | M138698 |
| B2628499 | Certificate of Analysis | Dec 11, 2025 | M138698 |
| B2628500 | Certificate of Analysis | Dec 11, 2025 | M138698 |
| Solubility | Solubility in hot Toluene:almost transparency |
|---|---|
| Sensitivity | Moisture sensitive |
| Molecular Weight | 166.170 g/mol |
| XLogP3 | 0.700 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 166.063 Da |
| Monoisotopic Mass | 166.063 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 277.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
