Cas no 502-49-8 (Cyclooctanone)

Cyclooctanone (CAS 502-49-8) is an eight-membered cyclic ketone with the molecular formula C?H??O. It is a versatile intermediate in organic synthesis, particularly valued for its role in producing fine chemicals, pharmaceuticals, and specialty polymers. The compound exhibits favorable reactivity due to its strained ring structure, enabling ring-opening and functionalization reactions. Cyclooctanone is also used as a precursor in the synthesis of macrocyclic compounds and ligands for catalysis. Its moderate volatility and stability under standard conditions make it suitable for laboratory and industrial applications. The product is typically supplied as a clear, colorless liquid with a characteristic ketone odor, ensuring ease of handling and storage.
Cyclooctanone structure
Cyclooctanone structure
Product Name:Cyclooctanone
CAS No:502-49-8
MF:C8H14O
MW:126.196162700653
MDL:MFCD00001754
CID:37839
PubChem ID:10403
Update Time:2025-06-13

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: GHS07
  • 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: C
  • 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:

    2914299000

    Overview:

    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 >>

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Cyclooctanone Production Method

Cyclooctanone Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:502-49-8)環(huán)辛酮
Order Number:LE2471876;LE6521
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:40
Price ($):discuss personally
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:502-49-8)Cyclooctanone
Order Number:A1204739
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 02:53
Price ($):354.0

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.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:502-49-8)環(huán)辛酮
LE2471876;LE6521
Purity:99%/99%
Quantity:25KG,200KG,1000KG/25KG,200KG,1000KG
Price ($):Inquiry/Inquiry
Email
Amadis Chemical Company Limited
(CAS:502-49-8)Cyclooctanone
A1204739
Purity:99%
Quantity:500g
Price ($):354.0
Email