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

3-(1,3-benzodioxol-5-yl)-2-methylpropenal

Refernces

• 1、 Morton, David,Cole-Hamilton, David J.. "Molecular Hydrogen Complexes in Catalysis: Highly Efficient Hydrogen Production from Alcoholic Substrates catalysed by Ruthenium Complexes.". . p. 1154 - 1156. Retrieved 1988.
• 2、 Tricas, Hugo,Diebolt, Olivier,Van Leeuwen, Piet W.N.M.. "Bulky monophosphite ligands for ethene hydroformylation". . p. 198 - 205. Retrieved 2013.
• 3、 Inoue, Hiroyasu,Hiroshima, Yukimi,Sakai, Toshihiko,Sakurai, Tadamitsu,Fukuda, Norio. "The Photochemical Reaction of Benzocinnoline. IV. Comments on the Mechanism of 2,2'-Diaminobiphenyl Formation". . p. 2829 - 2830. Retrieved 1981.
• 4、 Gotoh, Hiroshi,Yamada, Yasuhiro,Sato, Satoshi. "Dehydration of 1,3-butanediol over rare earth oxides". . p. 92 - 98. Retrieved 2010.
• 5、 Baumstark, Alfons L.,Dunams, Tambra. "Thermolysis of Dioxetanes: 3,3-Diethyl-1,2-dioxetane and 3,3-Dimethyl-4-ethyl-1,2-dioxetane". . p. 3754 - 3756. Retrieved 1982.
• 6、 Liang, Haoran,Zhang, Lin,Zheng, Xueli,Fu, Haiyan,Yuan, Maolin,Li, Ruixiang,Chen, Hua. "Regioselective rhodium-diphosphine ligand catalyzed hydroformylation of vinyl acetate". . p. 977 - 981. Retrieved 2012.
• 7、 Miyoshi, Akira,Matsui, Hiroyuki,Washida, Nobuaki. "Rates of Reaction of Hydroxyalkyl Radicals with Molecular Oxygen". . p. 3016 - 3019. Retrieved 1990.
• 8、 Chen, Shaojiang,Mitran, Gheorghita,Seo, Dong-Kyun. "Selective oxidation of: N -buthanol to butyraldehyde over MnCo2O4spinel oxides". . p. 25125 - 25135. Retrieved 2020.
• 9、 Van de Sande,Mc Lafferty. "". . p. 4617. Retrieved 1975.
• 10、 Anpo, Masakazu,Chiba, Katsuichi,Tomonari, Masanori,Coluccia, Salvatore,Che, Michel,Fox, Marye Anne. "Photocatalysis on Native and Platinum-Loaded TiO2 and ZnO Catalysts - Origin of Different Reactivities on Wet and Dry Metal Oxides -". . p. 543 - 551. Retrieved 1991.