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sec-Propanol
CAS: 67-63-0 | C3H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-63-0
Molecular Formula:
C3H8O
Molecular Weight:
60.096000000000004 g/mol
Names and Synonyms:
sec-Propanol
Synonym
IPA
Synonym
Autosept
Synonym
Isopropyl Alcohol
Synonym
2-Propanol
Synonym
Isopropyl alcohol
Synonym
Avantine
Synonym
Dimethylcarbinol
Synonym
Isohol
Synonym
Isopropanol
Synonym
Lutosol
Synonym
PRO
Synonym
Petrohol
Synonym
sec-Propyl alcohol
Synonym
Alcosolve 2
Synonym
iso-Propanol
Synonym
1-Methylethyl alcohol
Synonym
Imsol A
Synonym
Combi-Schutz
Synonym
Alcojel
Synonym
Avantin
Synonym
Hartosol
Synonym
Propol
Synonym
Takineocol
Synonym
n-Propan-2-ol
Synonym
2-Hydroxypropane
Synonym
2-Propyl alcohol
Synonym
Sterisol Hand Disinfectant
Synonym
1-Methylethanol
Synonym
iso-Propyl alcohol
Synonym
IPS 1 (alcohol)
Synonym
IPS 1
Synonym
Virahol
Synonym
Tokuso IPA
Synonym
NSC 135801
Synonym
Steri-Fab
Synonym
isopropanol
Synonym
Identifiers:
SMILES:
CC(C)O
InChI:
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
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 |
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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 | 60.10 g/mol | Legacy Database |
| density | 0.79 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Isopropyl_alcohol None | Legacy Database |
| cas-boiling-point | 82.5 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | OC(C)C None | Legacy Database |
| cas-density | 0.78505 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=KFZMGEQAYNKOFK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -88.5 °C None | Legacy Database |
| cas-name | Isopropanol None | Legacy Database |
| wikipedia-name | Isopropyl alcohol None | Legacy Database |
| LogP | 0.38710000000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 60.096000000000004 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 60.057514876 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 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 | 17.354800000000004 | RDKit |