Ethyl 3-Cyclohexyl-3-oxopropionate - ≥95%(GC) , CAS No.15971-92-3

CAS: 15971-92-3 Cat. No.: E156536 Formula: C₁₁H₁₈O₃ Peso molecolare: 198.26 Numero EC: 830-874-6

GRADE & PURITY ≥95%(GC)

Synonyms

AM20070459 | 3-cyclohexyl-3-oxo-propionic acid ethyl ester, AldrichCPR | MFCD04115574 | EN300-65349 | SCHEMBL434421 | AB7174 | ETHYL 3-CYCLOHEXYL-3-OXOPROPIONATE | Ethyl 3-Cyclohexyl-3-oxo-propionate | Cyclohexanepropanoic acid, beta-oxo-, ethyl ester | A

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

AM20070459 | 3-cyclohexyl-3-oxo-propionic acid ethyl ester, AldrichCPR | MFCD04115574 | EN300-65349 | SCHEMBL434421 | AB7174 | ETHYL 3-CYCLOHEXYL-3-OXOPROPIONATE | Ethyl 3-Cyclohexyl-3-oxo-propionate | Cyclohexanepropanoic acid, beta-oxo-, ethyl ester | A

Specifiche e purezza

≥95%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Purezza

≥95%(GC)

Nomi e identificatori

Pubchem Sid

504758221

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758221

Sorrisi canonici

CCOC(=O)CC(=O)C1CCCCC1

IUPAC Name

ethyl 3-cyclohexyl-3-oxopropanoate

InChIKey

ASYASKBLHYSMEG-UHFFFAOYSA-N

INCHI

1S/C11H18O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h9H,2-8H2,1H3

Isomeri SMILES

CCOC(=O)CC(=O)C1CCCCC1

Peso molecolare

198.26

Reaxy-Rn

977394

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=977394&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Keto acids and derivatives
      • Subclass Beta-keto acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Keto acids and derivatives
• Subclass: Beta-keto acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Beta-keto acids and derivatives
• Alternative Parents: Fatty acid esters 1,3-dicarbonyl compounds Ketones Carboxylic acid esters Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Fatty acid ester - Beta-keto acid - Fatty acyl - 1,3-dicarbonyl compound - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - 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 beta-keto acids and derivatives. These are organic compounds containing an aldehyde substituted with a keto group on the C3 carbon atom.
• 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

• Sensibilità: Air Sensitive
• Indice di rifrazione: 1.46
• Punto di infiammabilità (°C): 116 °C
• Punto di ebollizione (°C): 165°C/20mmHg(lit.)
• Peso molecolare: 198.260 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 198.126 Da
• Monoisotopic Mass: 198.126 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 205.000
• 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, and how is it determined?

This product is supplied at ≥95% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 15971-92-3, the molecular formula is C11H18O3, and the molecular weight is 198.26 g/mol. InChIKey ASYASKBLHYSMEG-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.