Ethanol (C2H6O)
Ethanol presents a C2 framework, alcohol functionality (formula C2H6O, CAS
64-17-5). ChemicalTool Reaction can propose ranked disconnections for
Ethanol from the SMILES
CCO.
Properties
Example route
AI-precomputed example (not literature-verified). Full route page
Reduce acetaldehyde to ethanol with NaBH₄ or catalytic hydrogenation. … (2 steps total)
Reduce acetaldehyde to ethanol with NaBH₄ or catalytic hydrogenation. → Hydrate ethylene under acid catalysis (industrial route) to give ethanol.
Ethanol 1H / 13C NMR spectrum →
FAQ
What is the chemical formula of Ethanol?
Ethanol has molecular formula C2H6O. Molecular weight about 46.07 g·mol⁻¹.
How can Ethanol be synthesized?
Reduce acetaldehyde to ethanol with NaBH₄ or catalytic hydrogenation. Then Hydrate ethylene under acid catalysis (industrial route) to give ethanol.
What is the CAS number of Ethanol?
The CAS Registry Number for Ethanol is 64-17-5.
Start from this SMILES and explore AI retrosynthesis routes for C2H6O.
Related targets
Similar compounds
Browse the full target catalog
References & tools
- ChemicalTool Reaction — AI retrosynthesis with optional library evidence.
- PubChem — compound identifiers and structure depictions (NIH/NCBI).
- Related: AiZynthFinder / synthesis planning literature for computer-aided retrosynthesis.