structure of 3-Cyclohexene-1-carboxaldehyde

3-Cyclohexene-1-carboxaldehyde

CAS No.: 100-50-5
M. Wt: 110.154
M. Fa: C7H10O
InChI Key: DCFDVJPDXYGCOK-UHFFFAOYSA-N
Appearance: Colorless liquid

Names and Identifiers of 3-Cyclohexene-1-carboxaldehyde

CAS Number

100-50-5

EC Number

202-858-3

MDL Number

MFCD00001572

IUPAC Name

cyclohex-3-ene-1-carbaldehyde

InChI

InChI=1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2

InChIKey

DCFDVJPDXYGCOK-UHFFFAOYSA-N

Canonical SMILES

C1CC(CC=C1)C=O

UNII

GAK9539347

UNSPSC Code

12352100

UN Number

2498

Physical and chemical properties of 3-Cyclohexene-1-carboxaldehyde

Boiling Point

105 °C

BRN

774001

Density

0.9694 @ 20 °C/4 °C

Exact Mass

110.073166

Flash Point

135 °F (57 °C) (OPEN CUP)

Index of Refraction

MAXIMUM ABSORPTION (ETHANOL): 231 NM (LOG E= 4.12); INDEX OF REFRACTION: 1.5005 @ 20 °C/D

LogP

1.59

Melting Point

2 °C

Molecular Formula

C7H10O

Molecular Weight

110.154

PSA

17.07000

Sensitivity

Air Sensitive

Solubility

Slightly soluble in water.

Stability

Stable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.

Storage condition

2-8°C

Vapour density

3.8 (vs air)

Vapour Pressure

1.8 [mmHg]

Water Solubility

11.5g/L at 20℃

Safety Information of 3-Cyclohexene-1-carboxaldehyde

Pictograms

Signal Word

Danger

Safety Data Sheet

Supports customized editing of SDS information and downloading in PDF documents.

Applications of 3-Cyclohexene-1-carboxaldehyde

3-Cyclohexene-1-carboxaldehyde finds applications in various fields:

  • Chemical Intermediates: It serves as a precursor in the synthesis of more complex organic molecules, including pharmaceuticals and agrochemicals.
  • Fragrance Industry: Due to its unique odor profile, it is utilized in the formulation of fragrances and flavorings.
  • Polymer Chemistry: It is employed in the production of polymers and resins, contributing to materials science applications.

Interaction Studies of 3-Cyclohexene-1-carboxaldehyde

Studies on the interactions of 3-cyclohexene-1-carboxaldehyde with other compounds have revealed interesting insights:

  • Reactivity with Nucleophiles: The compound readily reacts with nucleophiles such as amines and alcohols, forming various derivatives that may possess enhanced biological activities.
  • Compatibility with Catalysts: Its reactions can be facilitated by specific catalysts, enhancing yield and selectivity during synthetic processes.

These interaction studies are crucial for understanding its potential applications and optimizing its use in chemical synthesis.

Biological Activity of 3-Cyclohexene-1-carboxaldehyde

Research indicates that 3-cyclohexene-1-carboxaldehyde exhibits various biological activities, including:

  • Antimicrobial Properties: Some studies have suggested that this compound can inhibit the growth of certain bacteria and fungi.
  • Potential Anti-inflammatory Effects: Preliminary data indicate that it may possess anti-inflammatory properties, although further research is needed to confirm these effects.
  • Cytotoxicity: There are indications that it may exhibit cytotoxic effects against specific cancer cell lines, making it a candidate for further investigation in cancer research.

Physical sample testing spectrum (NMR) of 3-Cyclohexene-1-carboxaldehyde

Physical sample testing spectrum (NMR) of 3-Cyclohexene-1-carboxaldehyde

Retrosynthesis analysis of 3-Cyclohexene-1-carboxaldehyde

  • Route#1

    Cas:100-40-3
    Cas:100-50-5
  • Route#2

    Cas:100-73-2
    Cas:100-50-5
  • Route#3

    Cas:1679-51-2
    Cas:100-50-5