≥98%(GC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature 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.
| Pubchem Sid | 504755028 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504755028 |
| Canonical Smiles | CC(=O)C1=CC2=C(C=C1)OCCO2 |
| IUPAC Name | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone |
| InChIKey | HGVWMTAIIYNQSI-UHFFFAOYSA-N |
| INCHI | 1S/C10H10O3/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6H,4-5H2,1H3 |
| Isomeric SMILES | CC(=O)C1=CC2=C(C=C1)OCCO2 |
| WGK Germany | 3 |
| Molecular Weight | 178.19 |
| Reaxy-Rn | 164125 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=164125&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 | Benzodioxanes |
| Subclass | Benzo-1,4-dioxanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzo-1,4-dioxanes |
| Alternative Parents | Acetophenones Aryl alkyl ketones Alkyl aryl ethers Para dioxins Oxacyclic compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Benzo-1,4-dioxane - Acetophenone - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Benzenoid - Para-dioxin - Ketone - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring. |
| 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 |
|---|---|---|---|
 H2211041 | Certificate of Analysis | May 20, 2026 | A151115 |
| H2211042 | Certificate of Analysis | May 20, 2026 | A151115 |
| H2211043 | Certificate of Analysis | May 20, 2026 | A151115 |
| H2211044 | Certificate of Analysis | May 20, 2026 | A151115 |
| H2211045 | Certificate of Analysis | May 20, 2026 | A151115 |
| J2121116 | Certificate of Analysis | Aug 11, 2025 | A151115 |
| J2121117 | Certificate of Analysis | Aug 11, 2025 | A151115 |
| J2121122 | Certificate of Analysis | Aug 11, 2025 | A151115 |
| F1730020 | Certificate of Analysis | Jan 16, 2025 | A151115 |
| E2316920 | Certificate of Analysis | Jun 17, 2022 | A151115 |
| E2316911 | Certificate of Analysis | Oct 28, 2021 | A151115 |
| E2316913 | Certificate of Analysis | Oct 28, 2021 | A151115 |
| E2316924 | Certificate of Analysis | Oct 28, 2021 | A151115 |
| Melt Point(°C) | 80-86 °C |
|---|---|
| Molecular Weight | 178.180 g/mol |
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 178.063 Da |
| Monoisotopic Mass | 178.063 Da |
| Topological Polar Surface Area | 35.500 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 202.000 |
| 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 |
