Cyclooctanone - ≥97% , CAS No.502-49-8

CAS: 502-49-8 Cat. No.: C106984 分子式: C₈H₁₄O 分子量: 126.2 Beilstein Registry Number: 1280738 EC番号: 207-940-2

グレード＆純度 ≥97%

Synonyms

BDBM50028793 | AKOS000119617 | BCP09447 | Cyclooctanone, 98% | CyclooCLanone | UNII-Z4GO9P8SUZ | BBL011399 | AMY3996 | DTXSID3060114 | Z4GO9P8SUZ | Cyclooctanone, Vetec(TM) reagent grade, 98% | NSC 9475 | Q20054504 | STL146503 | 2,3,6,7-TETRAMETHYL-NAPHTH

Storage

Store at 2-8°C

Shipped In

Wet ice

概要

application：

Cyclooctanone is a aliphatic cycle that exhibited inhibitory activity towards aldosterone synthase, a promising therapeutic target for the treatment of cardiovascular diseases related to abnormally high aldosterone level. It is also used in the synthesis of 14-membered lactones.

仕様

同義語

BDBM50028793 | AKOS000119617 | BCP09447 | Cyclooctanone, 98% | CyclooCLanone | UNII-Z4GO9P8SUZ | BBL011399 | AMY3996 | DTXSID3060114 | Z4GO9P8SUZ | Cyclooctanone, Vetec(TM) reagent grade, 98% | NSC 9475 | Q20054504 | STL146503 | 2,3,6,7-TETRAMETHYL-NAPHTH

仕様と純度

≥97%

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

504751943

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504751943

カノニカル・スマイル

C1CCCC(=O)CCC1

IUPAC Name

cyclooctanone

InChIKey

IIRFCWANHMSDCG-UHFFFAOYSA-N

INCHI

1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2

異性体SMILES

C1CCCC(=O)CCC1

WGKドイツ

3

RTECS

GX9800000

分子量

126.2

Beilstein

1280738

Reaxy-Rn

1280738

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1280738&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones
• Direct Parent: Cyclic ketones
• Alternative Parents: Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as cyclic ketones. These are organic compounds containing a ketone that is conjugated to a cyclic moiety.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

関連ターゲット（人間）

TRIM24 Tchem Transcription intermediary factor 1-alpha (2 Activities)

Discover Target: TRIM24

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (2 Activities)

Discover Target: TRIM33

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

PNMT Tchem Phenylethanolamine N-methyltransferase (540 Activities)

Discover Target: PNMT

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TRIM33 Tchem E3 ubiquitin-protein ligase TRIM33 (162 Activities)

Discover Target: TRIM33

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water at 20°C 15g/L. Soluble in acetone, alcohol, chloroform, methanol and benzene.
• 引火点（°F）: 163.4 °F
• 引火点（°C）: 74 °C
• 沸点（°C）: 195-197°C
• 融点（°C）: 32-44°C
• 分子量: 126.200 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.104 Da
• Monoisotopic Mass: 126.104 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 86.700
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 502-49-8, the molecular formula is C8H14O, and the molecular weight is 126.2 g/mol. InChIKey IIRFCWANHMSDCG-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.