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

CAS: 2699-13-0 Cat. No.: M158043 분자식: C₇H₁₂O 분자량: 112.17 EC 번호: 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

동의어

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

사양 및 순도

≥97%

보관 조건

Store at -20°C,Argon charged

배송

Ice chest + Ice pads

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순수함

≥97%

이름과 식별자

• 정식 스마일: 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
• 이성체 SMILES: COC1CCCC=C1
• 분자량: 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
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 굴절률: 1.46
• 발화점(°C): 27 °C
• 끓는점(°C): 133°C(lit.)
• 분자량: 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

자주 묻는 질문

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.