3-Ethoxy-2-cyclohexen-1-one - ≥98%(GC) , CAS No.5323-87-5

CAS: 5323-87-5 Cat. No.: E156472 분자식: C₈H₁₂O₂ 분자량: 140.18 Beilstein Registry Number: 2042050 EC 번호: 226-190-7

GRADE & PURITY ≥98%(GC)

Synonyms

3-ethoxycyclohex-2-en-1-one | E0384 | NSC2826 | NSC-2826 | 3-Ethoxy-2-cyclohexenone, 99% | EINECS 226-190-7 | 3-Ethoxy-2-cyclohexenone | 3-ethoxy-2-cyclohexen-one | SY048535 | SCHEMBL99907 | 3-Ethoxycyclohex-2-ene-1-one | NSC 2826 | FT-0615623 | 3-(ethylo

Storage

2-8°C, 아르곤 충전 상태로 보관

Shipped In

젖은 얼음

Specifications

동의어

3-ethoxycyclohex-2-en-1-one | E0384 | NSC2826 | NSC-2826 | 3-Ethoxy-2-cyclohexenone, 99% | EINECS 226-190-7 | 3-Ethoxy-2-cyclohexenone | 3-ethoxy-2-cyclohexen-one | SY048535 | SCHEMBL99907 | 3-Ethoxycyclohex-2-ene-1-one | NSC 2826 | FT-0615623 | 3-(ethylo

사양 및 순도

≥98%(GC)

보관 조건

2-8°C, 아르곤 충전 상태로 보관

배송

젖은 얼음

순수함

≥98%(GC)

이름과 식별자

• Pubchem Sid: 504755354
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504755354
• 정식 스마일: CCOC1=CC(=O)CCC1
• IUPAC Name: 3-ethoxycyclohex-2-en-1-one
• InChIKey: JWCFJPLIRVYENQ-UHFFFAOYSA-N
• INCHI: 1S/C8H12O2/c1-2-10-8-5-3-4-7(9)6-8/h6H,2-5H2,1H3
• 이성체 SMILES: CCOC1=CC(=O)CCC1
• WGK 독일: 3
• 분자량: 140.18
• Beilstein: 2042050
• Reaxy-Rn: 2042049
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2042049&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Cyclic ketones
            • Level7 Cyclohexenones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Cyclic ketones
• Direct Parent: Cyclohexenones
• Alternative Parents: Vinylogous esters Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclohexenone - Vinylogous ester - Organic oxide - Hydrocarbon derivative - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as cyclohexenones. These are compounds containing a cylohexenone moiety, which is a six-membered aliphatic ring that carries a ketone and has one endocyclic double bond.
• 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

• 용해성: Slightly soluble in water.
• 감도: Air Sensitive
• 굴절률: 1.5020-1.5070
• 발화점(°F): 224.6 °F
• 발화점(°C): 107°C
• 끓는점(°C): 76-78 °C
• 분자량: 140.180 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 140.084 Da
• Monoisotopic Mass: 140.084 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 159.000
• 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

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °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 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 5323-87-5, the molecular formula is C8H12O2, and the molecular weight is 140.18 g/mol. InChIKey JWCFJPLIRVYENQ-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.