≥96% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 488181208 |
|---|---|
| Canonical Smiles | C1=CC=CC(=O)C=C1 |
| IUPAC Name | cyclohepta-2,4,6-trien-1-one |
| InChIKey | QVWDCTQRORVHHT-UHFFFAOYSA-N |
| INCHI | 1S/C7H6O/c8-7-5-3-1-2-4-6-7/h1-6H |
| Isomeric SMILES | C1=CC=CC(=O)C=C1 |
| WGK Germany | 3 |
| PubChem CID | 10881 |
| Molecular Weight | 106.12 |
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 | Hydrocarbon derivatives |
| Class | Tropones |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Tropones |
| Alternative Parents | Cyclic ketones Organic oxides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Tropone - Cyclic ketone - Organic oxygen compound - Organic oxide - Organooxygen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as tropones. These are compounds containing a tropone ring, which is a cycloheptatrienone ring bearing a ketone group. |
| 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 |
|---|---|---|---|
 E23101012 | Certificate of Analysis | Feb 04, 2026 | T355510 |
| E23101039 | Certificate of Analysis | Feb 04, 2026 | T355510 |
| E23101051 | Certificate of Analysis | Feb 04, 2026 | T355510 |
| E23101052 | Certificate of Analysis | Feb 04, 2026 | T355510 |
| E2310985 | Certificate of Analysis | Feb 04, 2026 | T355510 |
| E2310989 | Certificate of Analysis | Feb 04, 2026 | T355510 |
| H2229480 | Certificate of Analysis | Jun 10, 2025 | T355510 |
| H2229481 | Certificate of Analysis | Jun 10, 2025 | T355510 |
| H2229568 | Certificate of Analysis | Jun 10, 2025 | T355510 |
| Refractive Index | n20/D 1.615 (lit.) |
|---|---|
| Flash Point(°F) | >235.4 °F |
| Flash Point(°C) | >113 °C |
| Boil Point(°C) | 113 °C/15 mmHg (lit.) |
| Molecular Weight | 106.120 g/mol |
| XLogP3 | 1.600 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 106.042 Da |
| Monoisotopic Mass | 106.042 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 155.000 |
| 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 |
| 1. Yan Li, Mengyuan Wang, Qianjing Zhao, Xiaolin Shen, Jia Wang, Yajun Yan, Xinxiao Sun, Qipeng Yuan. (2019) Shunting Phenylacetic Acid Catabolism for Tropone Biosynthesis. ACS Synthetic Biology, [PMID:30861343] [10.1021/acssynbio.9b00013] |
