Cas no 502-49-8 (Cyclooctanone)
Cyclooctanone Chemical and Physical Properties
Names and Identifiers
-
- Cyclooctanone
- Cyclooctan-1-one
- Cyclooctanone, 98%
- Z4GO9P8SUZ
- cyclooctyloxy
- IIRFCWANHMSDCG-UHFFFAOYSA-N
- cyclooctanon
- Oxocyclooctane
- Azelaone
- cyclo-octanone
- CyclooCLanone
- WLN: L8VTJ
- KSC272C2R
- CYC057
- NSC9475
- STR03048
- BCP09447
- CC0182
- SBB008888
- STL146503
- BDBM50028793
- BBL
- 4-07-00-00049 (Beilstein Handbook Reference)
- AMY3996
- DTXSID3060114
- EN300-19677
- SCHEMBL181981
- CS-W007564
- 502-49-8
- FT-0624240
- Q20054504
- 2,3,6,7-TETRAMETHYL-NAPHTHALENE-1,4-DICARBOXYLICACID
- cyclooctanone; cyclooctan-1-one
- BRN 1280738
- Cyclooctanone, Vetec(TM) reagent grade, 98%
- AKOS000119617
- F0001-1312
- UNII-Z4GO9P8SUZ
- EINECS 207-940-2
- NSC-9475
- NS00032019
- CHEMBL18737
- MFCD00001754
- InChI=1/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H
- NSC 9475
- Z104474712
- DB-369971
- BBL011399
- DTXCID2040789
-
- MDL: MFCD00001754
- Inchi: 1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2
- InChI Key: IIRFCWANHMSDCG-UHFFFAOYSA-N
- SMILES: O=C1CCCCCCC1
- BRN: 1280738
Computed Properties
- Exact Mass: 126.10400
- Monoisotopic Mass: 126.104465066 g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 86.7
- 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
- Molecular Weight: 126.20
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 1.9
- Topological Polar Surface Area: 17.1
Experimental Properties
- Color/Form: Not determined
- Density: 0.958?g/mL?at 25?°C(lit.)
- Melting Point: 32-41?°C (lit.)
- Boiling Point: 195-197?°C(lit.)
- Flash Point: Fahrenheit: 163.4 ° f < br / > Celsius: 73 ° C < br / >
- Refractive Index: 1.4694
- PH: 7 (15g/l, H2O, 20℃)
- Solubility: 15g/l
- Water Partition Coefficient: Soluble in water at 20°C 15g/L. Soluble in acetone, alcohol, chloroform, methanol and benzene.
- PSA: 17.07000
- LogP: 2.29980
- Solubility: Not determined
- Vapor Pressure: 0.41 mmHg
Cyclooctanone Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315,H319,H335
- Warning Statement: P261,P305+P351+P338
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: 36/37/38-52/53
- Safety Instruction: S45-S36/37/39-S26
- RTECS:GX9800000
-
Hazardous Material Identification:
- Safety Term:S26;S36/37/39;S45
- Risk Phrases:R34
- HazardClass:8
- TSCA:Yes
- Storage Condition:Sealed in dry,Room Temperature
Cyclooctanone Customs Data
- HS CODE:2914299000
- Customs Data:
China Customs Code:
2914299000Overview:
2914299000. Other cycloalkanones without other oxygen-containing groups\Cyclic enone or cyclic terpenone. 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:
2914299000. other cyclanic, cyclenic or cyclotherpenic ketones without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%
Cyclooctanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C106984-100g |
Cyclooctanone |
502-49-8 | 97% | 100g |
¥484.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C106984-25g |
Cyclooctanone |
502-49-8 | 97% | 25g |
¥129.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C106984-500g |
Cyclooctanone |
502-49-8 | 97% | 500g |
¥1776.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | C106984-5g |
Cyclooctanone |
502-49-8 | 97% | 5g |
¥34.90 | 2023-09-03 | |
| Chemenu | CM202585-500g |
Cyclooctanone |
502-49-8 | 98% | 500g |
$271 | 2021-06-15 | |
| Ambeed | A521993-5g |
Cyclooctanone |
502-49-8 | 98% | 5g |
$7.0 | 2025-02-27 | |
| Ambeed | A521993-10g |
Cyclooctanone |
502-49-8 | 98% | 10g |
$13.0 | 2025-02-27 | |
| Ambeed | A521993-25g |
Cyclooctanone |
502-49-8 | 98% | 25g |
$23.0 | 2025-02-27 | |
| Ambeed | A521993-100g |
Cyclooctanone |
502-49-8 | 98% | 100g |
$58.0 | 2025-02-27 | |
| Ambeed | A521993-500g |
Cyclooctanone |
502-49-8 | 98% | 500g |
$284.0 | 2025-02-27 |
Cyclooctanone Suppliers
Cyclooctanone Related Literature
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Ecaterina Burevschi,Isabel Pe?a,M. Eugenia Sanz Phys. Chem. Chem. Phys. 2019 21 4331
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Wendy A. Loughlin,Michelle A. McCleary Org. Biomol. Chem. 2003 1 1347
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Telma F. S. Silva,Bruno G. M. Rocha,M. Fátima C. Guedes da Silva,Luísa M. D. R. S. Martins,Armando J. L. Pombeiro New J. Chem. 2016 40 528
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Stephan Hohloch,Selina Kaiser,Fenja Leena Duecker,Aljo?a Bolje,Ramananda Maity,Janez Ko?mrlj,Biprajit Sarkar Dalton Trans. 2015 44 686
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5. Highly enantioselective Michael reaction employing cycloheptanone and cyclooctanone as nucleophilesAi-Bao Xia,Long Zhao,Tao Wang,Yan-Peng Zhang,Ai-Guo Zhong,Dan-Qian Xu,Zhen-Yuan Xu New J. Chem. 2015 39 355
Additional information on Cyclooctanone
Comprehensive Guide to Cyclooctanone (CAS No. 502-49-8): Properties, Applications, and Industry Insights
Cyclooctanone (CAS No. 502-49-8) is a cyclic ketone with an eight-membered carbon ring, widely recognized for its unique chemical properties and versatility in industrial applications. As a member of the cycloalkanone family, this compound has garnered significant attention in recent years due to its role in fragrance synthesis, pharmaceutical intermediates, and specialty chemicals. Researchers and manufacturers frequently search for terms like "Cyclooctanone uses," "Cyclooctanone synthesis," and "CAS 502-49-8 suppliers," reflecting growing interest in this niche chemical.
The molecular structure of Cyclooctanone features a carbonyl group (C=O) bonded to a cycloalkane ring, imparting distinct reactivity patterns. With a molecular formula of C8H14O and a molar mass of 126.20 g/mol, this colorless to pale yellow liquid exhibits a characteristic musk-like odor, making it valuable in perfumery applications. Recent studies highlight its potential in green chemistry initiatives, particularly in catalytic hydrogenation processes that align with sustainable manufacturing trends.
In the pharmaceutical sector, Cyclooctanone serves as a key building block for drug discovery programs. Its ring strain and conformational flexibility enable the creation of complex molecular architectures sought after in medicinal chemistry. Industry professionals often inquire about "Cyclooctanone derivatives" and "biodegradability of CAS 502-49-8," reflecting environmental concerns in chemical development. Advanced purification techniques now allow for >99% purity grades, meeting stringent requirements for high-performance materials.
The compound's physical properties include a boiling point of 195-197°C and a density of 0.914 g/mL at 25°C. These characteristics make Cyclooctanone particularly useful in polymer modification and coating formulations. Recent patent filings reveal innovative applications in smart materials, where its incorporation enhances thermal stability and optical properties. Safety data sheets emphasize proper handling procedures, though it remains non-regulated under most international chemical inventories.
Market analysts note increasing demand for Cyclooctanone in flavor and fragrance industries, driven by consumer preference for novel scent profiles. The compound's ability to undergo selective oxidation and ring-opening reactions provides synthetic chemists with versatile pathways for creating value-added products. Quality control protocols typically involve GC-MS analysis and FTIR spectroscopy to ensure batch consistency, addressing common customer queries about "Cyclooctanone purity testing."
Emerging research explores Cyclooctanone's potential in energy storage systems, particularly as a precursor for advanced electrolyte formulations. Its electrochemical stability and compatibility with lithium salts present opportunities in battery technology development. The scientific community continues to investigate its structure-activity relationships, with computational chemistry models providing insights into reaction mechanisms at molecular levels.
From a commercial perspective, Cyclooctanone (CAS No. 502-49-8) remains a low-volume, high-value specialty chemical. Suppliers typically offer customized packaging solutions ranging from laboratory-scale quantities to bulk industrial shipments. Current market trends indicate growing adoption in electronic materials and nanotechnology applications, where its dielectric properties show particular promise. Technical bulletins frequently address questions about "Cyclooctanone solubility" and "compatibility with common solvents."
Environmental fate studies demonstrate that Cyclooctanone undergoes aerobic biodegradation under standard test conditions, contributing to its favorable ecological profile. This characteristic aligns with increasing regulatory focus on green chemistry principles and circular economy initiatives in the chemical sector. Analytical method development continues to advance, with HPLC techniques now capable of detecting trace impurities at parts-per-million levels.
In academic settings, Cyclooctanone serves as an important model compound for studying ring conformation dynamics and steric effects in medium-sized rings. Recent publications highlight its utility in asymmetric synthesis methodologies, particularly for constructing chiral centers in complex molecules. The compound's spectroscopic fingerprints (characteristic IR absorption at ~1715 cm-1 and 13C NMR signal at ~210 ppm) make it easily identifiable in analytical chemistry applications.
Looking forward, innovation in Cyclooctanone chemistry focuses on developing more efficient production methods, including biocatalytic routes and flow chemistry approaches. These advancements address industry needs for process intensification and waste reduction, responding to searches for "eco-friendly Cyclooctanone production." As research uncovers new applications in material science and life sciences, this versatile compound continues to demonstrate its importance across multiple technological frontiers.
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