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

CAS: 5452-75-5 Cat. No.: E156524 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

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