≥97% 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.
4,4-Dimethyl-2-cyclopenten-1-one is an α,β-unsaturated carbonyl compound and was reported to exhibit the higher tumor-specific cytotoxicity against oral human normal and tumor cells. 4,4-Dimethyl-2-cyclopenten-1-one was identified as one of the constituents in the essential oil of Tagetes minuta L by GC-MS.
| Pubchem Sid | 504757221 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504757221 |
| Canonical Smiles | CC1(CC(=O)C=C1)C |
| IUPAC Name | 4,4-dimethylcyclopent-2-en-1-one |
| InChIKey | YVFVCSCZJJGBAK-UHFFFAOYSA-N |
| INCHI | 1S/C7H10O/c1-7(2)4-3-6(8)5-7/h3-4H,5H2,1-2H3 |
| Isomeric SMILES | CC1(CC(=O)C=C1)C |
| WGK Germany | 3 |
| UN Number | 1224 |
| Packing Group | III |
| Molecular Weight | 110.15 |
| Reaxy-Rn | 2038535 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038535&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 | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones |
| Direct Parent | Cyclic ketones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic 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 |
|---|---|---|---|
 E2618079 | Certificate of Analysis | May 26, 2026 | D168778 |
| G2304452 | Certificate of Analysis | Apr 03, 2026 | D168778 |
| H2229262 | Certificate of Analysis | Jun 10, 2025 | D168778 |
| H2229287 | Certificate of Analysis | Jun 10, 2025 | D168778 |
| H2229299 | Certificate of Analysis | Jun 10, 2025 | D168778 |
| Flash Point(°F) | 114.8 °F |
|---|---|
| Flash Point(°C) | 46 °C |
| Boil Point(°C) | 158°C |
| Molecular Weight | 110.150 g/mol |
| XLogP3 | 1.400 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 110.073 Da |
| Monoisotopic Mass | 110.073 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 142.000 |
| 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 |
