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ChemicalTool Reaction
Retrosynthesis · AI + evidence

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.

Target
Ethanol
CAS
64-17-5
Formula
C2H6O
Approx. MW
46.07
SMILES
CCO
PubChem CID
702
Approx. carbons
C2

Ethanol structure

Properties

IUPAC name
ethanol
Common names
ethanol; ethyl alcohol; alcohol; 64-17-5; grain alcohol; Methylcarbinol; Ethyl hydroxide; Ethyl hydrate; Tecsol; Algrain
Molecular weight
46.07
Exact mass
46.04
InChIKey
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Melting point
-173.4 °F (NTP, 1992)
Boiling point
173.3 °F at 760 mmHg (NTP, 1992)
Density
0.79 at 68 °F (USCG, 1999) - Less dense than water; will float

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.

View example route for Ethanol

View on PubChem

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.

Run AI retrosynthesis for Ethanol Target catalog AI tools overview

Start from this SMILES and explore AI retrosynthesis routes for C2H6O.

Related targets

Similar compounds

Ethanolamineglycolaldehyde(Trimethylsilyl)methanol1-aminobutan-2-ol1-Aminopropan-2-ol1-Butanol

Browse the full target catalog

References & tools