Molecule
Ethanol
CAS: 64-17-5 · C2H6O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 64-17-5
- Molecular Formula
- C2H6O
- Molecular Mass
- 46.07 g/mol
Identifiers
CAS Registry Number
64-17-5
SMILES
CCO
InChI Key
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
Names and Synonyms
- Ethanol Common Name
- Ethanol Synonym
- Ethyl alcohol Synonym
- Alcohol Synonym
- Algrain Synonym
- Anhydrol Synonym
- Ethyl hydrate Synonym
- Ethyl hydroxide Synonym
- Jaysol Synonym
- Jaysol S Synonym
- Methylcarbinol Synonym
- Molasses alcohol Synonym
- Potato alcohol Synonym
- Tecsol Synonym
- Alcohol anhydrous Synonym
- Denatured ethanol Synonym
- Tecsol C Synonym
- Alcare Hand Degermer Synonym
- SY Fresh M Synonym
- Ethicap Synonym
- Synasol Synonym
- Desinfektol EL Synonym
- Duplicating Fluid 100C.NPA Synonym
- 100C.NPA Synonym
- Anhydrol PM 4085 Synonym
- SDA 3A Synonym
- Esumiru WK 88 Synonym
- Hinetoless Synonym
- IMS 99 Synonym
- Lux Synonym
- AHD 2000 Synonym
- Sekundasprit Synonym
- NSC 85228 Synonym
- Infinity Pure Synonym
- CDA 19 Synonym
- CDA 19-200 Synonym
- Sterillium Rub Synonym
- Germ-X Synonym
- Vinic alcohol Synonym
- SD 3A Synonym
- Denatured alcohol Synonym
- Neocol CQ Synonym
- Black Warrant Synonym
- Bioethanol Synonym
- Surfin 96 Synonym
- SDA 23A Synonym
- Amanol SD Synonym
- Alpet E Synonym
- Alpet NV Synonym
- PM 6193-200 Synonym
- ICON Dry Synonym
- Adechiru 750 Synonym
- Traceable 95 Synonym
- Shunkol B Synonym
- Prethanol A Synonym
- LEK 01 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 46.07 g/mol | CAS Common Chemistry |
| 46.069 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.789 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethanol | CAS Common Chemistry |
| Boiling Point | 78.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCC | CAS Common Chemistry |
| InChI | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -114.1 °C | CAS Common Chemistry |
| Name | Ethanol | CAS Common Chemistry |
| Heavy Atom Count | 3 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 20.23 Ų | RDKit |
| LogP | -0.0014000000000000123 | RDKit |
| -0.0014 | RDKit | |
| Molar Refractivity | 12.759800000000002 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 46.041864812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 46.07 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.
Synthesis
Reactions involving this molecule
Curated and imported reactions where this compound appears as a reactant, catalyst, solvent, or product. Calc-ready entries open the Reaction Scale Calculator pre-anchored on this molecule at 10 mmol; the rest go to the procedure overview.
Related
Related molecules
Other compounds with formula C2H6O.
