Ethyl cyclohexylideneacetate - ≥98% , CAS No.1552-92-7

CAS: 1552-92-7 Cat. No.: E302998 분자식: C₁₀H₁₆O₂ 분자량: 168.24 EC 번호: 216-297-7

GRADE & PURITY ≥98%

Synonyms

Ethyl 2-Cyclohexylideneacetate | 2-Cyclohexylideneacetic Acid Ethyl Ester | α-Cyclohexaneacetic Acid Ethyl Ester | Cyclohexylideneacetic acid ethyl

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

동의어

Ethyl 2-Cyclohexylideneacetate | 2-Cyclohexylideneacetic Acid Ethyl Ester | α-Cyclohexaneacetic Acid Ethyl Ester | Cyclohexylideneacetic acid ethyl

사양 및 순도

≥98%

보관 조건

Store at 2-8°C,Protected from light

배송

Wet ice

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순수함

≥98%

이름과 식별자

• 정식 스마일: CCOC(=O)C=C1CCCCC1
• IUPAC Name: ethyl 2-cyclohexylideneacetate
• InChIKey: MCWDXHYYYNGYGK-UHFFFAOYSA-N
• INCHI: 1S/C10H16O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h8H,2-7H2,1H3
• 이성체 SMILES: CCOC(=O)C=C1CCCCC1
• 분자량: 168.24
• Reaxy-Rn: 2044363
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2044363&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid esters
          • Level6 Alpha,beta-unsaturated carboxylic esters
            • Level7 Enoate esters

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid esters - Alpha,beta-unsaturated carboxylic esters
• Direct Parent: Enoate esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Enoate ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as enoate esters. These are an alpha,beta-unsaturated carboxylic ester of general formula R1C(R2)=C(R3)C(=O)OR4 (R4= organyl compound) in which the ester C=O function is conjugated to a C=C double bond at the alpha,beta position.
• 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: Soluble in dichloromethane, ethyl acetate.
• 끓는점(°C): 235.9°C at 760 mmHg
• 분자량: 168.230 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 168.115 Da
• Monoisotopic Mass: 168.115 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 174.000
• 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

참고 문헌

1. Youhua Xiao, Yuanlong Song, Xunuo Cao, Zheqi Chen, Xiaodong Lu, Jie Mao, QingQing Rao, Shenyuan Fu, Tiefeng Li, Yingwu Luo.  (2022)  Spatially Modulus-Patterned dielectric elastomer actuators with oriented electroactuation.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2022.137734]