Ethyl Cyclohexylacetate - ≥98%(GC) , CAS No.5452-75-5

CAS: 5452-75-5 Cat. No.: E156524 Fórmula: C₁₀H₁₈O₂ Peso molecular: 170.25 Beilstein Registry Number: 9,14

GRADE & PURITY ≥98%(GC)

Synonyms

A870428 | ethyl cyclohexyl acetate | AKOS008949070 | SY051481 | InChI=1/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3 | cyclohexane=ethyl acetate | D89353 | Cyclohexylacetic acid ethyl ester | cyclohexyl-acetic acid ethyl ester | SCHEMBL18797 | NSC

Storage

Protected from light,Room temperature

Shipped In

Normal

Specifications

Sinónimos

A870428 | ethyl cyclohexyl acetate | AKOS008949070 | SY051481 | InChI=1/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3 | cyclohexane=ethyl acetate | D89353 | Cyclohexylacetic acid ethyl ester | cyclohexyl-acetic acid ethyl ester | SCHEMBL18797 | NSC

Especificações e pureza

≥98%(GC)

Condições de armazenamento de armazenamento

Protected from light,Room temperature

Enviado em

Normal

Pureza

≥98%(GC)

Nomes e identificadores

• Pubchem Sid: 488182709
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182709
• Sorrisos canónicos: CCOC(=O)CC1CCCCC1
• IUPAC Name: ethyl 2-cyclohexylacetate
• InChIKey: ZBDAMDWKXGTKBT-UHFFFAOYSA-N
• INCHI: 1S/C10H18O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h9H,2-8H2,1H3
• SMILES isoméricas: CCOC(=O)CC1CCCCC1
• RTECS: GU6555000
• Peso molecular: 170.25
• Beilstein: 9,14
• Reaxy-Rn: 2043392
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043392&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• 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

Propriedades químicas e físicas

• Sensibilidade: Sensitive to light
• Índice de refração: 1.4470
• Ponto de inflamação (°C): 80°C(lit.)
• Ponto de ebulição (°C): 212°C(lit.)
• Peso molecular: 170.250 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 170.131 Da
• Monoisotopic Mass: 170.131 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 137.000
• 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

Perguntas frequentes

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 room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5452-75-5, the molecular formula is C10H18O2, and the molecular weight is 170.25 g/mol. InChIKey ZBDAMDWKXGTKBT-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.