Acetaldehyde

Base Information

• Chemical Name: Acetaldehyde
• CAS No.: 75-07-0
• Molecular Formula: C2H4O
• Molecular Weight: 44.0532
• Hs Code.: 2912120000
• European Community (EC) Number: 200-836-8
• ICSC Number: 0009
• NSC Number: 7594
• UN Number: 1089
• UNII: GO1N1ZPR3B
• DSSTox Substance ID: DTXSID5039224
• Nikkaji Number: J2.388D
• Wikipedia: Acetaldehyde
• Wikidata: Q61457,Q57695648
• NCI Thesaurus Code: C44328
• RXCUI: 1311137
• Pharos Ligand ID: X3K3SGCZFF13
• Metabolomics Workbench ID: 37534
• ChEMBL ID: CHEMBL170365
• Mol file: 75-07-0.mol

Synonyms:Acetaldehyde;Ethanal

Chemical Property of Acetaldehyde

Chemical Property:

• Appearance/Colour: clear, colorless liquid
• Melting Point: -123 °C
• Refractive Index: n20/D 1.377
• Boiling Point: 18.588 °C at 760 mmHg
• Flash Point: 133°F
• PSA: 17.07000
• Density: 0.748 g/cm³
• LogP: 0.20520
• Water Solubility.: > 500 g/L (20℃)
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 44.026214747
• Heavy Atom Count: 3
• Complexity: 10.3
• Transport DOT Label: Flammable Liquid

Purity/Quality:

99% min ^*data from raw suppliers

Safty Information:

• Pictogram(s): F+, Xn, F, T
• Hazard Codes: F+:Highly flammable
• Statements: R12:; R36/37:; R40:
• Safety Statements: S16:; S33:; S36/37:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Aldehydes
• Canonical SMILES: CC=O
• Recent NIPH Clinical Trials: A role of P.gingivalis and Acetaldehyde in barrier dysfunction of gastric mucosa after H.pylori eradication
• 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 substance is mildly irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the respiratory tract. This may result in tissue lesions. This substance is possibly carcinogenic to humans.

Technology Process of Acetaldehyde

There total 3755 articles about Acetaldehyde 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: 92.0%

para-dinitrobenzene (100-25-4) → acetaldehyde (75-07-0,9002-91-9) + 4-nitro-aniline (100-01-6,104810-17-5)

Guidance literature:

With ethanol; titanium(IV) oxide; for 0.25h; Irradiation;

DOI:10.1021/jo00055a033

Reference yield: 77.0%

1-Nitronaphthalene (86-57-7) → 1-amino-naphthalene (134-32-7) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

With ethanol; titanium(IV) oxide; for 0.25h; Irradiation;

DOI:10.1021/jo00055a033

Reference yield: 39.0%

chloromethylmercurioacetaldehyde (71840-36-3) + N-methylaniline (100-61-8) → 4,4'-methylenebis(N-methylaniline) (1807-55-2) + acetaldehyde (75-07-0,9002-91-9)

Guidance literature:

at 20 ℃; for 0.5h;

upstream raw materials:

oxirane

tetralin

ethene

benzene

Downstream raw materials:

1-Hydroxy-3-butanone

trichloro-(2-pyrrolidino-vinyl)-[1,4]benzoquinone

trans,trans-2,4-Hexadienal

2,4,6-octatrienal

Refernces

• 1、 Tang, Congming,Peng, Jiansheng,Fan, Guoce,Li, Xinli,Pu, Xiaoli,Bai, Wei. "Catalytic dehydration of lactic acid to acrylic acid over dibarium pyrophosphate". . p. 231 - 234. Retrieved 2014.
• 2、 Lin, Chen-Jui,Hsu, Chao-Sheng,Wang, Po-Yen,Lin, Yi-Liang,Lo, Yu-Shiu,Wu, Chien-Hou. "Photochemical redox reactions of copper(II)-alanine complexes in aqueous solutions". . p. 4934 - 4943. Retrieved 2014.
• 3、 Francis, Kevin,Gadda, Giovanni. "Kinetic evidence for an anion binding pocket in the active site of nitronate monooxygenase". . p. 167 - 172. Retrieved 2009.
• 4、 Alvarez, Francisco J.,Ermer, Joachim,Hübner, Gerhard,Schellenberger, Alfred,Schowen, Richard L.. "Catalytic power of pyruvate decarboxylase. Rate-limiting events and microscopic rate constants from primary carbon and secondary hydrogen isotope effects". . p. 8402 - 8409. Retrieved 1991.
• 5、 Fernholz,Ruigh,Stavely. "-". . p. 1554. Retrieved 1940.
• 6、 Murad. "-". . p. 1327. Retrieved 1961.
• 7、 Burstyn. "-". . p. 732. Retrieved 1902.
• 8、 Saito, Ko,Sasaki, Goki,Okada, Kazumasa,Tanaka, Seiji. "Unimolecular Decomposition of Pyruvic Acid: An Experimental and Theoretical Study". . p. 3756 - 3761. Retrieved 1994.
• 9、 Li, Xinli,Chen, Zhi,Cao, Ping,Pu, Wenjie,Zou, Weixin,Tang, Congming,Dong, Lin. "Ammonia promoted barium sulfate catalyst for dehydration of lactic acid to acrylic acid". . p. 54696 - 54705. Retrieved 2017.
• 10、 Adams,Williams. "-". . p. 2420. Retrieved 1921.