3-Methoxycyclohexene - ≥97% , CAS No.2699-13-0

CAS: 2699-13-0 Cat. No.: M158043 分子式: C₇H₁₂O 分子量: 112.17 EC番号: 805-871-8

GRADE & PURITY ≥97%

Synonyms

1-Cyclohexene, 3-methoxy- | AKOS006280591 | NSC155565 | NSC-155565 | NSC 155565 | 1-Cyclohexene, 3-methoxy-, | 3-methox ycyclohexene | D91600 | Cyclohexene, 3-methoxy- | 3-Methoxycyclohexene | 3-methoxy-cyclohexene | MFCD00013777 | SCHEMBL2755809 | 3-meth

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

同義語

1-Cyclohexene, 3-methoxy- | AKOS006280591 | NSC155565 | NSC-155565 | NSC 155565 | 1-Cyclohexene, 3-methoxy-, | 3-methox ycyclohexene | D91600 | Cyclohexene, 3-methoxy- | 3-Methoxycyclohexene | 3-methoxy-cyclohexene | MFCD00013777 | SCHEMBL2755809 | 3-meth

仕様と純度

≥97%

保管条件

Store at -20°C,Argon charged

入荷

Ice chest + Ice pads

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

• カノニカル・スマイル: COC1CCCC=C1
• IUPAC Name: 3-methoxycyclohexene
• InChIKey: OKDKFTKUXADLSJ-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c1-8-7-5-3-2-4-6-7/h3,5,7H,2,4,6H2,1H3
• 異性体SMILES: COC1CCCC=C1
• 分子量: 112.17
• Reaxy-Rn: 1853430
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1853430&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Dialkyl ethers
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Dialkyl ether - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as dialkyl ethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are alkyl groups.
• 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

化学的性質と物理的性質

• 屈折率: 1.46
• 引火点（°C）: 27 °C
• 沸点（°C）: 133°C(lit.)
• 分子量: 112.170 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 86.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ?20 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 2699-13-0, the molecular formula is C7H12O, and the molecular weight is 112.17 g/mol. InChIKey OKDKFTKUXADLSJ-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.