acetaldehyde

Synonyms: "acetic aldehyde", "ethanal", "ethyl aldehyde".

Source: Acetaldehyde is a natural compound occurring in wines, produced either by yeast metabolism during fermentation or by ethanol oxidation in the presence of phenolic compounds.

Identifiers:

IUPAC Name: acetaldehyde
CAS Number: 75-07-0
PubChem ID: 177
InChiKey: IKHGUXGNUITLKF-UHFFFAOYSA-N
Canonical SMILES: CC=O

Structural Properties:

Molecular Formula: C₂H₄O
Molecular Weight: 44.053

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 1
Number of atoms different from hydrogen: 3

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Cannizzaro C, La Barbera M, Plescia F, Cacace S, Tringali G. 2010. Ethanol modulates corticotropin releasing hormone release from the rat hypothalamus: does acetaldehyde play a role? Alcohol Clin Exp Res 34(4):588-593. DOI: 10.1111/j.1530-0277.2009.01127.x. URL: http://onlinelibrary.wiley.com/doi/10.1111/j.1530-0277.2009.01127.x/abstract.
Cobb CF, Van Thiel DH, Gavaler JS, Lester R. 1981. Effects of ethanol and acetaldehyde on the rat adrenal. Metabolism 30(6):537-543. DOI: 10.1016/0026-0495(81)90127-X. URL: https://www.sciencedirect.com/science/article/pii/002604958190127X.
Soffritti M, Belpoggi F, Lambertin L, Lauriola M, Padovani M, Maltoni C. 2002. Results of long-term experimental studies on the carcinogenicity of formaldehyde and acetaldehyde in rats. Ann N Y Acad Sci 982:87-105. DOI: 10.1111/j.1749-6632.2002.tb04926.x. URL: http://onlinelibrary.wiley.com/doi/10.1111/j.1749-6632.2002.tb04926.x/full.
Sreenathan RN, Padmanabhan R, Singh S. 1982. Teratogenic effects of acetaldehyde in the rat. Drug Alcohol Depend 9(4):339-350. DOI: 10.1016/0376-8716(82)90072-2. URL: https://www.sciencedirect.com/science/article/pii/0376871682900722.
Sreenathan RN, Singh S, Padmanabhan R. 1984. Implication of the placenta in acetaldehyde-induced intrauterine growth retardation. Drug Alcohol Depend 13(2):199-204. DOI: 10.1016/0376-8716(84)90059-0. URL: https://www.sciencedirect.com/science/article/pii/0376871684900590.