Back to Search
Isopropyl Alcohol
CAS: 67-63-0 | C3H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
67-63-0
Molecular Formula:
C3H8O
Molecular Mass:
60.10 g/mol
Names and Synonyms:
Isopropyl Alcohol
2-Propanol
Isopropyl alcohol
Avantine
Dimethylcarbinol
Isohol
Isopropanol
Lutosol
PRO
Petrohol
sec-Propyl alcohol
Alcosolve 2
iso-Propanol
1-Methylethyl alcohol
Imsol A
Combi-Schutz
Alcojel
Avantin
Hartosol
Propol
Takineocol
n-Propan-2-ol
2-Hydroxypropane
2-Propyl alcohol
Sterisol Hand Disinfectant
1-Methylethanol
iso-Propyl alcohol
sec-Propanol
IPA
Autosept
IPS 1 (alcohol)
IPS 1
Virahol
Tokuso IPA
NSC 135801
Steri-Fab
isopropanol
Identifiers:
SMILES:
CC(C)O
InChI:
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
Key Properties
Boiling Point
82.5 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
-88.5 °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 | 60.10 g/mol | CAS Common Chemistry |
| 60.096000000000004 g/mol | RDKit | |
| 60.057514876 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.78505 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropyl_alcohol | CAS Common Chemistry |
| Boiling Point | 82.5 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | OC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=KFZMGEQAYNKOFK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -88.5 °C | CAS Common Chemistry |
| Name | Isopropanol | CAS Common Chemistry |
| Isopropyl alcohol | CAS Common Chemistry | |
| Heavy Atom Count | 4 | 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 | 0.38710000000000006 | RDKit |
| Molar Refractivity | 17.354800000000004 | RDKit |
