Cas no 4894-75-1 (4-phenylcyclohexan-1-one)
4-phenylcyclohexan-1-one Chemical and Physical Properties
Names and Identifiers
-
- 4-Phenylcyclohexanone
- 4-Phenylcyclohexan-1-one
- 4-Phenylcyclohexanon
- 4-Phenyl-1-cyclohexanone
- NSC 28473
- Cyclohexanone, 4-phenyl-
- YKAYMASDSHFOGI-UHFFFAOYSA-N
- 4-Phenyl cyclohexanone
- NSC28473
- 4-phenylcyclo-hexanone
- 4-phenyl-cyclohexanone
- Enamine_005496
- 4-phenyl-cyclohexan-1-one
- YKAYMASDSHFOGI-UHFFFAOYSA-
- HMS1409J18
- SBB008578
- STK80234
- 4894-75-1
- EINECS 225-517-0
- NS00031838
- MFCD00001641
- W-106035
- Z56922122
- BS-3945
- InChI=1/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
- CS-W008596
- SCHEMBL76840
- FT-0619406
- 4-Phenylcyclohexanone, >=98%
- AKOS000119415
- F0001-1279
- SY046517
- P0975
- EN300-17358
- A827634
- NSC-28473
- DTXSID80197644
- 4-Phenylcyclohexanone; NSC 28473
- 4-Phenyl-1-cyclohexanone; 4-Phenylcyclohexanone; NSC 28473;
- STK802344
- DB-013318
- 4-phenylcyclohexan-1-one
-
- MDL: MFCD00001641
- Inchi: 1S/C12H14O/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-5,11H,6-9H2
- InChI Key: YKAYMASDSHFOGI-UHFFFAOYSA-N
- SMILES: O=C1CCC(C2C=CC=CC=2)CC1
- BRN: 2045904
Computed Properties
- Exact Mass: 174.10400
- Monoisotopic Mass: 174.104
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 170
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 2.1
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: White powder
- Density: 0.97 g/cm3 (25℃)
- Melting Point: 77.0 to 80.0 deg-C
- Boiling Point: 158-160°C 16mm
- Flash Point: Fahrenheit: 212 ° f
Celsius: 100 ° c - Refractive Index: 1.5363 (estimate)
- Water Partition Coefficient: Slightly soluble
- PSA: 17.07000
- LogP: 2.91330
- Solubility: Uncertain
4-phenylcyclohexan-1-one Security Information
- Hazard Statement: Irritant
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: S22: do not breathe dust. S24/25: prevent skin and eye contact.
- Safety Instruction: S22-S24/25
-
Hazardous Material Identification:
- Safety Term:S22;S24/25
- Storage Condition:Keep container closed when not in use. Store in a cool, dry, well ventilated area away from incompatible substances. Keep container tightly closed.
4-phenylcyclohexan-1-one Customs Data
- HS CODE:29143900
- Customs Data:
China Customs Code:
2914399090Overview:
2914399090. Other aromatic ketones without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to, Acetone declared packaging
Summary:
2914399090. other aromatic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
4-phenylcyclohexan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 196231-10G |
4-phenylcyclohexan-1-one |
4894-75-1 | 10g |
¥356.99 | 2023-12-09 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 196231-50G |
4-phenylcyclohexan-1-one |
4894-75-1 | 50g |
¥1338.29 | 2023-12-09 | ||
| TRC | P319765-10g |
4-Phenylcyclohexanone |
4894-75-1 | 10g |
$ 58.00 | 2023-09-06 | ||
| TRC | P319765-50g |
4-Phenylcyclohexanone |
4894-75-1 | 50g |
$ 173.00 | 2023-09-06 | ||
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027112-10g |
4-phenylcyclohexan-1-one |
4894-75-1 | 98% | 10g |
¥72 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027112-250g |
4-phenylcyclohexan-1-one |
4894-75-1 | 98% | 250g |
¥3299 | 2022-09-30 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027112-50g |
4-phenylcyclohexan-1-one |
4894-75-1 | 98% | 50g |
¥822 | 2022-09-30 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027112-100g |
4-phenylcyclohexan-1-one |
4894-75-1 | 98% | 100g |
¥337 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027112-25g |
4-phenylcyclohexan-1-one |
4894-75-1 | 98% | 25g |
¥98 | 2024-05-23 | |
| SHANG HAI YI EN HUA XUE JI SHU Co., Ltd. | R027112-5g |
4-phenylcyclohexan-1-one |
4894-75-1 | 98% | 5g |
¥34 | 2024-05-23 |
4-phenylcyclohexan-1-one Related Literature
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Megha N. Palange,Rajesh G. Gonnade,Ravindar Kontham Org. Biomol. Chem. 2019 17 5749
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Yujing Hu,Jie Wang,Yixin Cen,He Zheng,Meilan Huang,Xianfu Lin,Qi Wu Chem. Commun. 2019 55 2198
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Vincenzo Marsicano,Antonio Arcadi,Marco Chiarini,Giancarlo Fabrizi,Antonella Goggiamani,Antonia Iazzetti Org. Biomol. Chem. 2021 19 421
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4. Enamine chemistry. Part 29. Synthesis of adamantane derivatives from α,β-unsaturated acid chlorides and 4,4-disubstituted cyclohexanone enamines. Multiple [3,3] sigmatropic rearrangement transition state stereochemistry. X-Ray analysisPeter W. Hickmott,Giasuddin Ahmed,S. Asghari Ahmed,Simon Wood,Moshe Kapon J. Chem. Soc. Perkin Trans. 1 1985 2559
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5. Enamine chemistry. Part 29. Synthesis of adamantane derivatives from α,β-unsaturated acid chlorides and 4,4-disubstituted cyclohexanone enamines. Multiple [3,3] sigmatropic rearrangement transition state stereochemistry. X-Ray analysisPeter W. Hickmott,Giasuddin Ahmed,S. Asghari Ahmed,Simon Wood,Moshe Kapon J. Chem. Soc. Perkin Trans. 1 1985 2559
Additional information on 4-phenylcyclohexan-1-one
4-Phenylcyclohexan-1-one (CAS No. 4894-75-1): Properties, Applications, and Market Insights
4-Phenylcyclohexan-1-one (CAS No. 4894-75-1) is a versatile organic compound with a unique cyclic ketone structure that has gained significant attention in pharmaceutical and fragrance industries. This aromatic ketone derivative features a phenyl group attached to a cyclohexanone ring, creating valuable chemical properties that make it useful in various synthetic applications.
The molecular structure of 4-phenylcyclohexanone (alternative naming convention) demonstrates interesting stereochemical properties due to the potential for chair conformation of the cyclohexane ring. Recent studies in asymmetric synthesis have highlighted its role as a chiral building block, particularly in the development of pharmaceutical intermediates. The compound's ketone functional group makes it reactive for numerous transformations, including reductions to corresponding alcohols or conversions to various heterocyclic compounds.
In the fragrance industry, 4-phenylcyclohexan-1-one derivatives are valued for their woody-amber olfactory characteristics. Perfume chemists frequently modify this cyclic ketone compound to create novel scent molecules with enhanced stability and longevity. The compound's molecular framework allows for strategic substitutions that can fine-tune volatility and odor profiles, making it particularly valuable in high-end fragrance formulations.
From a synthetic chemistry perspective, CAS 4894-75-1 serves as an important precursor in organic synthesis routes. Its reactivity patterns have been extensively studied, with particular focus on conjugate addition reactions and catalytic hydrogenation processes. Recent publications in green chemistry journals have explored sustainable production methods for this phenyl-substituted cyclohexanone, including biocatalytic approaches and solvent-free reaction conditions.
The pharmaceutical applications of 4-phenylcyclohexan-1-one continue to expand, with research focusing on its potential as a scaffold for drug discovery. Medicinal chemists appreciate the compound's balanced lipophilicity and the synthetic accessibility of various derivatives. Several studies have investigated 4-phenylcyclohexanone derivatives as potential kinase inhibitors or modulators of biological targets, particularly in neurological and metabolic disorders.
Material science researchers have recently explored applications of 4894-75-1 CAS in polymer chemistry. The compound can serve as a monomer or cross-linking agent in specialty polymer formulations, contributing to materials with specific thermal or mechanical properties. This has led to increased interest from the advanced materials sector, particularly for high-performance coatings and adhesives.
Analytical characterization of 4-phenylcyclohexan-1-one typically involves techniques such as GC-MS, HPLC, and NMR spectroscopy. The compound shows characteristic signals in 1H NMR spectra that help distinguish it from similar structures. Quality control protocols for industrial-scale production emphasize purity assessment through these analytical methods, ensuring batch-to-batch consistency for fine chemical applications.
The global market for 4-phenylcyclohexanone products has shown steady growth, driven by demand from both pharmaceutical and fragrance sectors. Regional production hubs have emerged in Asia, Europe, and North America, with manufacturers focusing on process optimization to meet increasing requirements for high-purity specialty chemicals. Market analysts note particular expansion in custom synthesis services offering derivatives of this versatile chemical building block.
Environmental and safety considerations for CAS 4894-75-1 follow standard organic chemical handling protocols. While not classified as highly hazardous, proper ventilation and personal protective equipment are recommended when working with this organic ketone compound in laboratory or industrial settings. Recent green chemistry initiatives have encouraged the development of more sustainable production methods for such fine chemical intermediates.
Future research directions for 4-phenylcyclohexan-1-one include exploration of novel catalytic systems for its synthesis and investigation of previously unexplored derivative chemistries. The compound's structural features continue to inspire medicinal chemistry research, particularly in targeted drug delivery systems. Additionally, materials scientists are examining potential applications in organic electronic materials and advanced polymer systems.
For researchers and industrial users seeking 4-phenylcyclohexanone suppliers, quality specifications typically include minimum purity levels (often >98%) and detailed analytical certificates. The compound is generally available in laboratory-scale quantities from specialty chemical providers, with some manufacturers offering bulk quantities for industrial applications. Proper storage conditions (typically cool and dry) help maintain the stability of this valuable chemical intermediate over extended periods.
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