≥80%(mixture of isomers) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Argon charged Ships Wet ice 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 57 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC12CCCCC1C(=O)OC2=O |
|---|---|
| IUPAC Name | 7a-methyl-4,5,6,7-tetrahydro-3aH-2-benzofuran-1,3-dione |
| InChIKey | VYKXQOYUCMREIS-UHFFFAOYSA-N |
| INCHI | 1S/C9H12O3/c1-9-5-3-2-4-6(9)7(10)12-8(9)11/h6H,2-5H2,1H3 |
| Isomeric SMILES | CC12CCCCC1C(=O)OC2=O |
| Molecular Weight | 168.19 |
| Reaxy-Rn | 147628 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=147628&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 | cyclic dicarboxylic anhydride - tetrahydrofurandione |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2513503 | Certificate of Analysis | Jun 23, 2025 | M758152 |
| F2513519 | Certificate of Analysis | Jun 23, 2025 | M758152 |
| F2513541 | Certificate of Analysis | Jun 23, 2025 | M758152 |
| F2513542 | Certificate of Analysis | Jun 23, 2025 | M758152 |
| Sensitivity | Hygroscopic |
|---|---|
| Molecular Weight | 168.190 g/mol |
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 0 |
| Exact Mass | 168.079 Da |
| Monoisotopic Mass | 168.079 Da |
| Topological Polar Surface Area | 43.400 Ų |
| Heavy Atom Count | 12 |
| Formal Charge | 0 |
| Complexity | 246.000 |
| 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 |
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| 17. Yifang Wang, Boxue Du, Xiaoxiao Kong, Xiaolong Li. (2023) Effects of cross-linked networks on dielectric properties of epoxy resins based on molecular dynamics. JOURNAL OF APPLIED POLYMER SCIENCE, 141 (11): (e55104). [PMID:] [10.1002/app.55104] |
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