Cas no 2109-22-0 (2-Cyclohexylpropanal)

2-Cyclohexylpropanal is a saturated aliphatic aldehyde characterized by its cyclohexyl substituent, offering a balance of reactivity and stability. Its structure makes it a versatile intermediate in organic synthesis, particularly for the production of fragrances, pharmaceuticals, and specialty chemicals. The cyclohexyl group enhances lipophilicity, which can be advantageous in formulations requiring controlled hydrophobicity. The aldehyde functionality allows for further derivatization, including condensation, reduction, or oxidation reactions. With a defined molecular weight (140.23 g/mol) and clear physical properties, it is suitable for precise applications in research and industrial processes. Proper handling is recommended due to its potential sensitivity to air and moisture.
2-Cyclohexylpropanal structure
2-Cyclohexylpropanal structure
Product Name:2-Cyclohexylpropanal
CAS No:2109-22-0
MF:C9H16O
MW:140.222743034363
CID:279412
PubChem ID:95560
Update Time:2026-05-14

2-Cyclohexylpropanal Chemical and Physical Properties

Names and Identifiers

    • Cyclohexaneacetaldehyde,a-methyl-
    • 2-cyclohexylpropanal
    • Α-METHYL-CYCLOHEXANEACETALDEHYDE
    • 2-Cyclohexyl propionaldehyde
    • cyclohexylpropionaldehyde
    • pollenal II
    • .alpha.-methyl-cyclohexaneacetaldehyd
    • 2-Cyclohexylpropanal
    • Inchi: 1S/C9H16O/c1-8(7-10)9-5-3-2-4-6-9/h7-9H,2-6H2,1H3
    • InChI Key: UQURIQWAEZGLAC-UHFFFAOYSA-N
    • SMILES: O=CC(C1CCCCC1)C

Computed Properties

  • Exact Mass: 140.12000
  • Monoisotopic Mass: 140.12
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 103
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 17.1A^2

Experimental Properties

  • Density: 0.899g/cm3
  • Boiling Point: 203oC at 760mmHg
  • Flash Point: 71.4oC
  • Refractive Index: 1.447
  • PSA: 17.07000
  • LogP: 2.40170

2-Cyclohexylpropanal Security Information

  • Hazard Category Code: 43-51/53
  • Safety Instruction: S24; S37; S61
  • Hazardous Material Identification: Xi N
  • Risk Phrases:R43; R51/53

2-Cyclohexylpropanal Customs Data

  • HS CODE:2912299000
  • Customs Data:

    China Customs Code:

    2912299000

    Overview:

    2912299000. Other cyclic aldehydes without other oxygen-containing groups. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:5.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Appearance of tetraformaldehyde

    Summary:

    2912299000. other cyclic aldehydes without other oxygen function. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:5.5%. General tariff:30.0%

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2-Cyclohexylpropanal Related Literature

Additional information on 2-Cyclohexylpropanal

Chemical Profile of 2-Cyclohexylpropanal (CAS No. 2109-22-0)

2-Cyclohexylpropanal (CAS No. 2109-22-0) is a significant organic compound widely recognized for its utility in the pharmaceutical and chemical industries. This aldehyde, characterized by a cyclohexyl group attached to a propanal backbone, exhibits unique chemical properties that make it a valuable intermediate in synthetic chemistry. The compound's molecular structure, consisting of a six-membered cycloalkane ring linked to an aldehyde functional group, contributes to its versatility in various chemical transformations.

The synthesis of 2-cyclohexylpropanal typically involves the oxidation of cyclohexylmethylcyclohexanol or through the reduction of 2-cyclohexylpropanone. These synthetic pathways highlight the compound's role as a precursor in the production of more complex molecules. Its stability under standard conditions and reactivity with nucleophiles make it particularly useful in forming carbon-carbon bonds, which is crucial in drug development.

In recent years, 2-cyclohexylpropanal has garnered attention for its applications in the synthesis of biologically active compounds. Researchers have explored its potential as a building block in creating novel therapeutic agents. For instance, studies have demonstrated its utility in constructing heterocyclic scaffolds, which are prevalent in many pharmaceuticals. The cyclohexyl group provides steric hindrance and electronic modulation, enhancing the binding affinity of resulting molecules to biological targets.

One notable area where 2-cyclohexylpropanal has made significant contributions is in the development of antimicrobial agents. The aldehyde group allows for facile derivatization into Schiff bases and other functionalized compounds that exhibit potent antimicrobial properties. Recent publications have shown promising results when incorporating 2-cyclohexylpropanal derivatives into formulations targeting resistant bacterial strains. This underscores the compound's importance in addressing emerging challenges in infectious diseases.

The compound's role extends beyond pharmaceuticals into agrochemicals and specialty chemicals. In agrochemical research, derivatives of 2-cyclohexylpropanal have been investigated for their potential as intermediates in pesticide formulations. Their structural features contribute to improved efficacy and environmental compatibility, aligning with global trends toward sustainable agriculture. Additionally, the compound finds applications in fragrance and flavor chemistry, where its aldehyde functionality contributes to desirable olfactory profiles.

From a chemical biology perspective, 2-cyclohexylpropanal has been studied for its interactions with enzymes and proteins. Researchers have utilized computational modeling to predict how modifications to its structure could enhance bioactivity. These studies not only advance our understanding of molecular recognition but also provide insights for designing next-generation drugs with improved pharmacokinetic profiles.

The industrial production of 2-cyclohexylpropanal is optimized for scalability and efficiency, ensuring consistent quality for commercial applications. Advances in catalytic processes have enabled greener synthesis methods, reducing waste and energy consumption. Such innovations are critical as the demand for high-purity chemicals grows across multiple sectors.

Future research directions for 2-cyclohexylpropanal include exploring its potential in photopharmacology and drug delivery systems. The compound's ability to be incorporated into complex molecular architectures suggests its utility in developing stimuli-responsive drugs that can release active ingredients under specific conditions. This approach holds promise for targeted therapies with minimized side effects.

In conclusion, 2-cyclohexylpropanal (CAS No. 2109-22-0) is a multifaceted compound with broad applications across pharmaceuticals, agrochemicals, and specialty chemicals. Its unique structural features and reactivity make it an indispensable intermediate in synthetic chemistry. As research continues to uncover new possibilities for this molecule, its significance in advancing scientific and industrial applications is undeniable.

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