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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
Common Name
LEK 01
Synonym
Prethanol A
Synonym
Shunkol B
Synonym
Traceable 95
Synonym
Adechiru 750
Synonym
ICON Dry
Synonym
PM 6193-200
Synonym
Alpet NV
Synonym
Alpet E
Synonym
Amanol SD
Synonym
SDA 23A
Synonym
Surfin 96
Synonym
Bioethanol
Synonym
Black Warrant
Synonym
Neocol CQ
Synonym
Denatured alcohol
Synonym
SD 3A
Synonym
Vinic alcohol
Synonym
Germ-X
Synonym
Sterillium Rub
Synonym
CDA 19-200
Synonym
CDA 19
Synonym
Infinity Pure
Synonym
NSC 85228
Synonym
Sekundasprit
Synonym
AHD 2000
Synonym
Lux
Synonym
IMS 99
Synonym
Hinetoless
Synonym
Esumiru WK 88
Synonym
SDA 3A
Synonym
Anhydrol PM 4085
Synonym
100C.NPA
Synonym
Duplicating Fluid 100C.NPA
Synonym
Desinfektol EL
Synonym
Synasol
Synonym
Ethicap
Synonym
SY Fresh M
Synonym
Alcare Hand Degermer
Synonym
Tecsol C
Synonym
Denatured ethanol
Synonym
Alcohol anhydrous
Synonym
Tecsol
Synonym
Potato alcohol
Synonym
Molasses alcohol
Synonym
Methylcarbinol
Synonym
Jaysol S
Synonym
Jaysol
Synonym
Ethyl hydroxide
Synonym
Ethyl hydrate
Synonym
Anhydrol
Synonym
Algrain
Synonym
Alcohol
Synonym
Ethyl alcohol
Synonym
Ethanol
Synonym
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 |