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Cyclohexanecarboxaldehyde

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Cyclohexanecarboxaldehyde Basic information
Product Name:Cyclohexanecarboxaldehyde
Synonyms:1-Formylcyclohexane;Cyclohexanaldehyde;Cyclohexane-1-carboxaldehyde;Cyclohexanealdehyde;Cyclohexylcarboxaldehyde;Cyclohexylformaldehyde;Formylcyclohexane;CyclohexaneforMaldehyde
CAS:2043-61-0
MF:C7H12O
MW:112.17
EINECS:218-057-7
Product Categories:Miscellaneous;Pharmaceutical Intermediates;Halogenated Heterocycles ,Pyrimidines
Mol File:2043-61-0.mol
Cyclohexanecarboxaldehyde Structure
Cyclohexanecarboxaldehyde Chemical Properties
Melting point 34-35°C
Boiling point 161-163 °C (lit.)
density 0.926 g/mL at 25 °C (lit.)
refractive index n20/D 1.452(lit.)
Fp 105 °F
storage temp. 2-8°C
form Liquid
color Clear colorless to faintly pink
Water Solubility Soluble in chloroform, ether, alcohol. Slightly soluble in water.
Sensitive Air Sensitive
BRN 878306
InChI1S/C7H12O/c8-6-7-4-2-1-3-5-7/h6-7H,1-5H2
InChIKeyKVFDZFBHBWTVID-UHFFFAOYSA-N
SMILESO=CC1CCCCC1
LogP1.900 (est)
CAS DataBase Reference2043-61-0(CAS DataBase Reference)
NIST Chemistry ReferenceCyclohexanecarboxaldehyde(2043-61-0)
Safety Information
Hazard Codes Xi,F
Risk Statements 10-36/37/38-36
Safety Statements 16-26-36-37/39
RIDADR UN 1989 3/PG 3
WGK Germany 3
8-9-23
HazardClass 3
PackingGroup III
HS Code 29122990
Storage Class3 - Flammable liquids
Hazard ClassificationsEye Irrit. 2
Flam. Liq. 3
Skin Irrit. 2
STOT SE 3
MSDS Information
ProviderLanguage
Hexahydrobenzaldehyde English
ACROS English
SigmaAldrich English
ALFA English
Cyclohexanecarboxaldehyde Usage And Synthesis
Chemical PropertiesClear colorless to faintly pink liquid
UsesCyclohexanecarboxaldehyde was used to study gas-phase microwave spectrum of cyclohexanecarboxaldehyde. It was used for the synthesis of poly(vinyl cyclohexanal). It was used as model substrate in the synthesis of propargylamines using Fe3O4 nanoparticles as catalyst. It was employed in an aldol reaction with ethyl diazoacetate catalyzed by basic, nanoparticulate magnesium oxide leading to α-diazo-β-hydroxyesters.
Synthesis Reference(s)Chemical and Pharmaceutical Bulletin, 42, p. 1041, 1994 DOI: 10.1248/cpb.42.1041
Tetrahedron Letters, 24, p. 573, 1983 DOI: 10.1016/S0040-4039(00)81467-7
SynthesisThe prepared Grignard reagent was pressed into a dry and clean 20 L reaction bottle, the temperature of the Grignard reagent was cooled to -20° C. and controled at -10±5° C. then 1.506 g of dimethylformamide was dropwise added to the reaction bottle in about 2 h, the temperature of the system was preserved at a temperature below 0° C. for 2 h. 7 L of HCl having a concentration of 4 mol/L was dropwise added to the reaction bottle to terminate the reaction to obtain a reaction product. Suction filtration was performed for the reaction product, an obtained filtrate was standed to enable liquid separation, an obtained water phase was extracted twice with 2.8 L of EA, extracted organic phases were combined and washed with 3 L of saturated salt water, and concentration was performed to obtain 1.608 kg of Cyclohexanecarboxaldehyde having a purity of 96% and a yield of 83%.
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