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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 Mass:
46.07 g/mol
Names and Synonyms:
Ethanol
Ethanol
Ethyl alcohol
Alcohol
Algrain
Anhydrol
Ethyl hydrate
Ethyl hydroxide
Jaysol
Jaysol S
Methylcarbinol
Molasses alcohol
Potato alcohol
Tecsol
Alcohol anhydrous
Denatured ethanol
Tecsol C
Alcare Hand Degermer
SY Fresh M
Ethicap
Synasol
Desinfektol EL
Duplicating Fluid 100C.NPA
100C.NPA
Anhydrol PM 4085
SDA 3A
Esumiru WK 88
Hinetoless
IMS 99
Lux
AHD 2000
Sekundasprit
NSC 85228
Infinity Pure
CDA 19
CDA 19-200
Sterillium Rub
Germ-X
Vinic alcohol
SD 3A
Denatured alcohol
Neocol CQ
Black Warrant
Bioethanol
Surfin 96
SDA 23A
Amanol SD
Alpet E
Alpet NV
PM 6193-200
ICON Dry
Adechiru 750
Traceable 95
Shunkol B
Prethanol A
LEK 01
Identifiers:
SMILES:
CCO
InChI:
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
Key Properties
Boiling Point
78.5 °C
CAS Common Chemistry
Melting Point
-114.1 °C
CAS Common Chemistry
Density
0.79 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 46.07 g/mol | CAS Common Chemistry |
| 46.069 g/mol | RDKit | |
| 46.041864812 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.789 g/cm3 @ Temp: 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 |
| Molar Refractivity | 12.759800000000002 | RDKit |
