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Base Information Edit
  • Chemical Name:Benzaldehyde
  • CAS No.:100-52-7
  • Molecular Formula:C7H6O
  • Molecular Weight:106.124
  • Hs Code.:2912210000
  • European Community (EC) Number:202-860-4,640-369-0,693-271-5
  • ICSC Number:0102
  • NSC Number:7917
  • UN Number:1990
  • UNII:TA269SD04T
  • DSSTox Substance ID:DTXSID8039241
  • Nikkaji Number:J4.010J
  • Wikipedia:Benzaldehyde
  • Wikidata:Q372524
  • NCI Thesaurus Code:C2591
  • RXCUI:1314334
  • Metabolomics Workbench ID:38822
  • Mol file:100-52-7.mol

Synonyms:benzaldehyde;benzaldehyde, formyl-(14)C-labeled

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Chemical Property of Benzaldehyde Edit
Chemical Property:
  • Appearance/Colour:colorless liquid 
  • Vapor Pressure:0.974mmHg at 25°C 
  • Melting Point:-26 °C 
  • Refractive Index:n20/D 1.545(lit.)  
  • Boiling Point:178.7 °C at 760 mmHg 
  • Flash Point:62.8 °C 
  • PSA:17.07000 
  • Density:1.049 g/cm3 
  • LogP:1.49910 
  • Water Solubility.:<0.01 g/100 mL at 19.5℃ 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Rotatable Bond Count:1
  • Exact Mass:106.041864811
  • Heavy Atom Count:8
  • Complexity:72.5
  • Transport DOT Label:Class 9
Safty Information:
  • Pictogram(s): HarmfulXn 
  • Hazard Codes: Xn:Harmful;
  • Statements: R22:; 
  • Safety Statements: S24:; 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

  • Chemical Classes:Other Classes -> Benzaldehydes
  • Canonical SMILES:C1=CC=C(C=C1)C=O
  • Inhalation Risk:No indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
  • Effects of Short Term Exposure:The substance is irritating to the eyes.
  • Importance and Versatility Benzaldehyde is a vital organic compound widely used as an intermediate in various industries. It serves as a key building block for the synthesis of perfumes, epoxy resins, plasticizers, drugs, sweeteners, and fine chemicals.
  • Industrial Production Benzaldehyde is industrially produced through two main processes: the catalytic oxidation of toluene to benzoic acid with oxygen and the hydrolysis of benzyl chloride.
    Current synthetic routes have drawbacks such as high temperatures, long reaction times, and the production of chloride wastes, resulting in low catalytic conversion and poor benzaldehyde yield.
  • Alternative Production Methods Selective oxidation of styrene to benzaldehyde has gained attention due to its simplicity and environmental friendliness.
    Various homogeneous and heterogeneous catalysts have been explored for this process, with heterogeneous catalysts being more promising due to easy separation and recycling.
  • Challenges in Toluene Oxidation Toluene oxidation to benzaldehyde presents challenges, with traditional processes requiring high temperatures and pressures.
    Photocatalysis offers a green and low-energy consumption alternative, but its low solar energy conversion efficiency limits practical applications.
    Strategies to improve photocatalytic efficiency include enhancing separation and migration rates of photogenerated charge carriers.
Technology Process of Benzaldehyde

There total 6900 articles about Benzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:
Guidance literature:
In chlorobenzene; at 129.2 ℃; Product distribution; Rate constant; also with styrene, dimethylaniline, and 2,6-di-tert-butyl-p-cresol (radical traps);
Guidance literature:
With methyloxirane; In 1,2-dichloro-ethane; for 0.75h; Mechanism; Heating;
Guidance literature:
With air; Cd-Sn-P-O; at 515 ℃; under 760 Torr; Mechanism; Product distribution; other catalyst, vari. of reagebt composition, of temperature; selectivity to styrene conversion investigated;
Refernces Edit