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
Safety
Found in products
Vendor products containing this compound. Click through to the SDS revision history. Vendor URLs may rot; the linked PDFs are frozen copies retrieved on the listed date.
Convert
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.
