Ethyl 2-(4-oxocyclohexyl)acetate - ≥96% , CAS No.58012-34-3

CAS: 58012-34-3 Cat. No.: E194041 Formula: C₁₀H₁₆O₃ Peso molecolare: 184.23 Numero EC: 805-162-3

GRADE & PURITY ≥96%

Synonyms

A848265 | STL555978 | XHNJFNLTFMAPQB-UHFFFAOYSA-N | ethyl 4-oxocyclohexaneacetate | AKOS006307852 | BBL102179 | Ethyl 2-(4-oxocyclohexyl)acetate | DS-6432 | 4-oxocyclohexaneacetic acid ethyl ester | Cyclohexaneacetic acid, 4-oxo-, ethyl ester | DTXSID9050

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

A848265 | STL555978 | XHNJFNLTFMAPQB-UHFFFAOYSA-N | ethyl 4-oxocyclohexaneacetate | AKOS006307852 | BBL102179 | Ethyl 2-(4-oxocyclohexyl)acetate | DS-6432 | 4-oxocyclohexaneacetic acid ethyl ester | Cyclohexaneacetic acid, 4-oxo-, ethyl ester | DTXSID9050

Specifiche e purezza

≥96%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥96%

Nomi e identificatori

Pubchem Sid

504767196

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504767196

Sorrisi canonici

CCOC(=O)CC1CCC(=O)CC1

IUPAC Name

ethyl 2-(4-oxocyclohexyl)acetate

InChIKey

XHNJFNLTFMAPQB-UHFFFAOYSA-N

INCHI

1S/C10H16O3/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h8H,2-7H2,1H3

Isomeri SMILES

CCOC(=O)CC1CCC(=O)CC1

Peso molecolare

184.23

Reaxy-Rn

2692366

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2692366&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: Cyclic ketones Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Cyclic ketone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.45
• Punto di infiammabilità (°C): 112 °C
• Punto di ebollizione (°C): 96 °C/0.1 mmHg
• Peso molecolare: 184.230 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 184.11 Da
• Monoisotopic Mass: 184.11 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 188.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥96% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

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 58012-34-3, the molecular formula is C10H16O3, and the molecular weight is 184.23 g/mol. InChIKey XHNJFNLTFMAPQB-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.