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

CALIDAD & PUREZA ≥98%(GC)

Synonyms

ethyl cyclohexyl acetate|cyclohexane=ethyl acetate|Cyclohexylacetic acid ethyl ester|cyclohexyl-acetic acid ethyl ester|2-cyclohexylacetic acid ethyl ester|ethyl 2-cyclohexylacetate|CYCLOHEXANEACETIC ACID, ETHYL ESTER|ethyl-2-cyclohexylacetate|(5S,12R)-5,12,20-TRIHYDROXY-(6Z,8E,10E,14Z)-EICOSATETRAENOICACID|Cyclohexaneacetic Acid Ethyl Ester|Ethyl cyclohexylacetate|ETHYL .ALPHA.-CYCLOHEXYLACETATE|Cyclohexyl acetic acid ethyl ester|Ethyl cyclohexaneacetate

Storage

Protected from light,Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

ethyl cyclohexyl acetate | cyclohexane=ethyl acetate | Cyclohexylacetic acid ethyl ester | cyclohexyl-acetic acid ethyl ester | 2-cyclohexylacetic acid ethyl ester | ethyl 2-cyclohexylacetate | CYCLOHEXANEACETIC ACID, ETHYL ESTER | ethyl-2-cyclohexylacetate | (5S,12R)-5,12,20-TRIHYDROXY-(6Z,8E,10E,14Z)-EICOSATETRAENOICACID | Cyclohexaneac Show more

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

488182709

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182709

Sonrisas canónicas

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

Isómeros SMILES

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
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Sensitive to light
• Índice de refracción: 1.4470
• Punto de inflamación (°C): 80°C(lit.)
• Punto de ebullición (°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

Preguntas frecuentes

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.