Cyclohexanecarboxaldehyde
Synonym(s):Hexahydrobenzaldehyde
- CAS NO.:2043-61-0
- Empirical Formula: C7H12O
- Molecular Weight: 112.17
- MDL number: MFCD00001457
- EINECS: 218-057-7
- SAFETY DATA SHEET (SDS)
- Update Date: 2024-08-21 22:41:43
What is Cyclohexanecarboxaldehyde?
Chemical properties
Clear colorless to faintly pink liquid
The Uses of Cyclohexanecarboxaldehyde
Cyclohexanecarboxaldehyde 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
Synthesis
The 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%.
Properties of Cyclohexanecarboxaldehyde
Melting point: | 34-35°C |
Boiling point: | 161-163 °C (lit.) |
Density | 0.926 g/mL at 25 °C (lit.) |
refractive index | n |
Flash point: | 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 |
CAS DataBase Reference | 2043-61-0(CAS DataBase Reference) |
NIST Chemistry Reference | Cyclohexanecarboxaldehyde(2043-61-0) |
Safety information for Cyclohexanecarboxaldehyde
Signal word | Warning |
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H226:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
Computed Descriptors for Cyclohexanecarboxaldehyde
InChIKey | KVFDZFBHBWTVID-UHFFFAOYSA-N |
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