Propionaldehyde

Base Information

• Chemical Name: Propionaldehyde
• CAS No.: 123-38-6
• Molecular Formula: C3H6O
• Molecular Weight: 58.08
• Hs Code.: 29121900
• European Community (EC) Number: 204-623-0
• ICSC Number: 0550
• NSC Number: 6493
• UN Number: 1275
• UNII: AMJ2B4M67V
• DSSTox Substance ID: DTXSID2021658
• Nikkaji Number: J2.497J
• Wikipedia: Propionaldehyde
• Wikidata: Q422909,Q83035605
• Metabolomics Workbench ID: 38308
• ChEMBL ID: CHEMBL275626
• Mol file: 123-38-6.mol

Synonyms:propanal;propionaldehyde;propionaldehyde, 1-14C-labeled;propionaldehyde, 2-14C-labeled

Chemical Property of Propionaldehyde

Chemical Property:

• Appearance/Colour: colourless liquid
• Vapor Pressure: 18.77 psi ( 55 °C)
• Melting Point: -81 °C
• Refractive Index: n20/D 1.362(lit.)
• Boiling Point: 49.339 °C at 760 mmHg
• Flash Point: ?16°F
• PSA: 17.07000
• Density: 0.798 g/cm³
• LogP: 0.59530
• Storage Temp.: 2-8°C
• Sensitive.: Air Sensitive
• Solubility.: organic solvents: soluble
• Water Solubility.: 540 g/L (20 ºC)
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 58.041864811
• Heavy Atom Count: 4
• Complexity: 17.2
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% ^*data from raw suppliers

Propionaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F,Xi
• Hazard Codes: F,Xi,Xn
• Statements: 11-36/37/38-R36/37/38-R11-41-37/38-20/22
• Safety Statements: 9-16-29-S9-S29-S16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CCC=O
• Inhalation Risk: A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The vapour is irritating to the eyes and respiratory tract. The substance is severely irritating to the eyes and skin.
• Description: Propionaldehyde is a volatile liquid substance which consists of one carbonyl group and its characteristic functional group. The main functional group is an aldehyde which classifies propionaldehyde in the carbonyls. The main trunk of this substance is a short aliphatic chain. The carbonyl group determines, to a large extent, its chemical properties and most importantly its nucleophilic property. Propionaldehyde is readily oxidized if in contact to oxygen and should therefore be stored under inert gases.
• Uses: Manufacture of propionic acid, polyvinyl, and other plastics; synthesis of rubber chemicals; disin- fectant; preservative. Propionaldehyde is produced by the oxo reaction of ethylene with carbon monoxide and hydrogen. n-Propyl alcohol is produced by hydrogenation of propionaldehyde, and propionic acid is made by oxidation of propionaldehyde. n-Propyl alcohol is used as solvent in printing inks and as an intermediate in the preparation of agricultural chemicals. Propionic acid is used as a grain preservative as, for example, in preventing spoilage of wet corn used as animal feed. The use of propionic acid as a grain preservative is an alterna tive to drying by heating, which consumes fuel, and is considered mostly when fuel is expensive. Propionaldehyde is used in the productionof propionic acid, propionic anhydride, andmany other compounds. It is formed in theoxidative deterioration of corn products, suchas corn chips. It occurs in automobile exhaustgases.

Technology Process of Propionaldehyde

There total 1009 articles about Propionaldehyde 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:

Reference yield:

N-α-Hydroxypropyl-8-amino-octansaeure → 8-Aminooctanoic acid (1002-57-9) + propionaldehyde (123-38-6)

Guidance literature:

at 0 - 25 ℃; Equilibrium constant;

Reference yield:

C9H11NO3S (130436-14-5) → propan-1-ol (71-23-8) + formaldehyd (50-00-0,30525-89-4,61233-19-0) + di(p-nitrophenyl) disulfide (100-32-3) + 1-(ethylsulfanyl)-4-nitrobenzene (7205-60-9) + propionaldehyde (123-38-6) + n-butane (106-97-8,9003-29-6,9021-92-5)

Guidance literature:

In benzene; Product distribution; Irradiation;

DOI:10.1021/jo00310a008

Reference yield:

2-bromobutyramide (5398-24-3) → hydrogen cyanide (74-90-8) + hydrogen bromide (10035-10-6,12258-64-9) + propionaldehyde (123-38-6)

Guidance literature:

upstream raw materials:

pyridine

N,N-dimethylaminopropane

dibenzoyl peroxide

maleic anhydride

Downstream raw materials:

1-propenyl-pyrrolidine

N-(1-propenyl)piperidine

2-ethyl-2,5-dihydro-thiazole

2-methyl-3-(2-furyl)-propenal

Refernces

Pseudoesters and Derivatives. 29. Regioselective Reactions of the 5-(Ethylthio)furan-2(5H)-one Anion with Electrophiles

10.1021/jo00249a037

The research focused on the regioselective reactions of the 5-(ethylthio)furan-2(5H)-one anion with various electrophilic reagents. The purpose of the study was to explore the reactivity of this anion towards different electrophilic species, such as Michael acceptors, carbonyl compounds, alkyl halides, and acyl halides, with the aim of selectively forming new bonds, particularly carbon-carbon bonds, at the 3- and 5-positions of 2(5H)-furanones. The researchers used a variety of chemicals in their experiments, including 5-(ethylthio)furan-2(5H)-one, lithium diisopropylamide (LDA), potassium carbonate, propionaldehyde, acetyl chloride, ethyl chloroformate, cyclohexenone, methyl acrylate, and cyclohexanone. The conclusions drawn from the study indicated that the reactions proceeded with high regioselectivity, controlled by the nature of the electrophile, and provided a simple and mild method for the synthesis of important substituted lactones, which has wide potential utility in organic synthesis.