Cyclohexanecarboxaldehyde - ≥97% , CAS No.2043-61-0

CAS: 2043-61-0 Cat. No.: C109681 Molecular Weight: 112.17 Beilstein Registry Number: 878306 EC Number: 218-057-7

GRADE & PURITY ≥97%

Synonyms

cyclohexylcarbaldehyde | Cyclohexanecarboxaldehyde; | CHEBI:197359 | Cyclohexancarboxaldehyde | cyclohexane carbaldehyde | cyclohexane carboaldehyde | A814556 | Cyclohexanealdehyde | cyclohexane-aldehyde | cyclohexancarbaldehyd | cyclohexyl carboxaldehyde

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Employed in an aldol reaction with ethyl diazoacetate catalyzed by basic, nanoparticulate magnesium oxide leading to α-diazo-β-hydroxyesters

Specifications

Synonyms

cyclohexylcarbaldehyde | Cyclohexanecarboxaldehyde; | CHEBI:197359 | Cyclohexancarboxaldehyde | cyclohexane carbaldehyde | cyclohexane carboaldehyde | A814556 | Cyclohexanealdehyde | cyclohexane-aldehyde | cyclohexancarbaldehyd | cyclohexyl carboxaldehyde

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)C=O
• IUPAC Name: cyclohexanecarbaldehyde
• InChIKey: KVFDZFBHBWTVID-UHFFFAOYSA-N
• INCHI: 1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2
• Isomeric SMILES: C1CCC(CC1)C=O
• WGK Germany: 3
• UN Number: 1989
• Molecular Weight: 112.17
• Beilstein: 878306
• Reaxy-Rn: 878306
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878306&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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

Chemical and Physical Properties

• Solubility: Soluble in chloroform, ether, alcohol. Slightly soluble in water.
• Sensitivity: Light sensitive;Air sensitive;light sensitive
• Refractive Index: 1.449-1.452
• Flash Point(°F): 105.8 °F
• Flash Point(°C): 40℃
• Boil Point(°C): 159°C
• Melt Point(°C): 34-35℃
• Molecular Weight: 112.170 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 112.089 Da
• Monoisotopic Mass: 112.089 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 72.500
• 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

References

1. Shenghui Zhou, Fanglin Dai, Zhouyang Xiang, Tao Song, Detao Liu, Fachuang Lu, Haisong Qi.  (2019)  Zirconium–lignosulfonate polyphenolic polymer for highly efficient hydrogen transfer of biomass-derived oxygenates under mild conditions.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2019.02.011]

2. Yilin Wei, Zhiwei Sun, Qingqing Li, Dan Wu, Jianshe Wang, Yuexing Zhang, Chunbao Charles Xu, Renfeng Nie.  (2024)  Efficient reductive amination of furfural to furfurylamine promoted synergistically by surface Co0 and oxygen-vacant CoOx.  FUEL,      [PMID:] [10.1016/j.fuel.2024.131703]