2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl- CAS 17530-69-7
| CAS No. | 17530-69-7 |
| Molecular Formula | C8H11ClO |
| Molecular Weight | 158.63 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 158.63 g/mol gives 2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl- distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl- (CAS 17530-69-7), molecular formula C8H11ClO and molecular weight 158.63 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-Cyclohexen-1-one, 3-chloro-5,5-dimethyl- (C8H11ClO) is characterized by a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.
Physical & Chemical Properties
| Molecular Formula | C8H11ClO |
| Molecular Weight | 158.63 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1962 |
| Halogen Content | Cl-containing |
Related Cyclohexen Standards
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- N-[2-(1-Cyclohexen-1-yl)ethyl]-1-propanaminehydrochloride (CAS 356532-69-9)
- 3-Phenyl-2-cyclohexen-1-one (CAS 10345-87-6)
- 3-Oxo-1-cyclohexen-1-boronic Acid (CAS 1626344-47-5)
- 1-(1-Cyclohexen-1-Yl)-2,2,2-Trifluoroethanone (CAS 411233-49-3)
- 3-{[2-(1-Cyclohexen-1-yl)ethyl]-amino}propanenitrile (CAS 1040689-16-4)
Recommended Standards
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- 4-Methylcyclohex-3-enecarbonyl Chloride (CAS 16695-95-7)
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- N-(tetrahydro-2H-pyran-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CAS 1218471-54-5)
- 2-(5-Oxo-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 5855-68-5)
- Methyl 2-(2,2,6,6-tetramethylpiperidin-4-yl)acetate (CAS 28310-37-4)
- 3,5-Dimethyl-N-propylaniline (CAS 13342-24-0)
- Boc-Ile-Ile-OH (CAS 69541-98-6)
- (R)-Benzyl (1-(2-hydroxyethyl)pyrrolidin-3-yl)(isopropyl)carbamate (CAS 1354019-53-6)
- (3-Ethoxy-4-methoxybenzyl)(2-phenylethyl)amine (CAS 101781-84-4)
- Semaglutide impurity 257 (CAS CATO-C4X-2226257)
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