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Basic Description
| Synonyms | 2-Cyclohexen-1-one, 3,5-dimethyl- | EINECS 214-369-2 | NSC10113 | NSC-10113 | AI3-21772 | EN300-98240 | AKOS015917649 | A802550 | E78362 | DTXSID20870848 | FT-0658302 | 3,5-Dimethyl-2-cyclohexen-1-one, 98% | 3,5-dimethylcyclohexenone | MFCD00001583 | SCHE |
|---|---|
| Specifications & Purity | ≥98% |
| Storage Temp | Store at -20°C |
| Shipped In |
Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Cyclic ketones
- Level7 Cyclohexenones
- Level6 Cyclic ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic oxygen compounds |
| Class | Organooxygen compounds |
| Subclass | Carbonyl compounds |
| Intermediate Tree Nodes | Ketones - Cyclic ketones |
| Direct Parent | Cyclohexenones |
| Alternative Parents | Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aliphatic homomonocyclic compounds |
| Substituents | Cyclohexenone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond. |
| External Descriptors | Not available |
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Names and Identifiers
| Pubchem Sid | 488181966 |
|---|---|
| IUPAC Name | 3,5-dimethylcyclohex-2-en-1-one |
| INCHI | InChI=1S/C8H12O/c1-6-3-7(2)5-8(9)4-6/h4,7H,3,5H2,1-2H3 |
| InChIKey | NOQKKFBBAODEHN-UHFFFAOYSA-N |
| Smiles | CC1CC(=CC(=O)C1)C |
| Isomeric SMILES | CC1CC(=CC(=O)C1)C |
| WGK Germany | 3 |
| Molecular Weight | 124.18 |
| Reaxy-Rn | 1280739 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280739&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F23161184 |
Certificate of Analysis | May 26, 2023 | D338929 |
| F23161187 |
Certificate of Analysis | May 26, 2023 | D338929 |
| F23161185 |
Certificate of Analysis | May 26, 2023 | D338929 |
| F23161180 |
Certificate of Analysis | May 26, 2023 | D338929 |
| F23161183 |
Certificate of Analysis | May 26, 2023 | D338929 |
| F23161178 |
Certificate of Analysis | May 26, 2023 | D338929 |
Chemical and Physical Properties
| Refractive Index | n20D1.483 (lit.) |
|---|---|
| Flash Point(°F) | 174.2 °F |
| Flash Point(°C) | 79 °C |
| Boil Point(°C) | 211-212° C |
| Melt Point(°C) | 211-212° C (lit.) |
| Molecular Weight | 124.180 g/mol |
| XLogP3 | 1.200 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 124.089 Da |
| Monoisotopic Mass | 124.089 Da |
| Topological Polar Surface Area | 17.100 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 156.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
Solution Calculators
Reviews
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