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Ethanol
CAS: 64-17-5 | C2H6O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
64-17-5
Molecular Formula:
C2H6O
Molecular Weight:
46.069 g/mol
Names and Synonyms:
Ethanol
LEK 01
Prethanol A
Shunkol B
Traceable 95
Adechiru 750
ICON Dry
PM 6193-200
Alpet NV
Alpet E
Amanol SD
SDA 23A
Surfin 96
Bioethanol
Black Warrant
Neocol CQ
Denatured alcohol
SD 3A
Vinic alcohol
Germ-X
Sterillium Rub
CDA 19-200
CDA 19
Infinity Pure
NSC 85228
Sekundasprit
AHD 2000
Lux
IMS 99
Hinetoless
Esumiru WK 88
SDA 3A
Anhydrol PM 4085
100C.NPA
Duplicating Fluid 100C.NPA
Desinfektol EL
Synasol
Ethicap
SY Fresh M
Alcare Hand Degermer
Tecsol C
Denatured ethanol
Alcohol anhydrous
Tecsol
Potato alcohol
Molasses alcohol
Methylcarbinol
Jaysol S
Jaysol
Ethyl hydroxide
Ethyl hydrate
Anhydrol
Algrain
Alcohol
Ethyl alcohol
Ethanol
Identifiers:
SMILES:
CCO
InChI:
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 46.07 g/mol | Legacy Database |
| density | 0.79 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethanol None | Legacy Database |
| cas-boiling-point | 78.5 °C None | Legacy Database |
| cas-canonical-smile | OCC None | Legacy Database |
| cas-density | 0.789 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=LFQSCWFLJHTTHZ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -114.1 °C None | Legacy Database |
| cas-name | Ethanol None | Legacy Database |
| wikipedia-name | Ethanol None | Legacy Database |
| LogP | -0.0014000000000000123 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 46.069 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 46.041864812 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 3 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 20.23 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 12.759800000000002 | RDKit |
