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Molecule
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
Identifiers
CAS Registry Number
67-63-0
SMILES
CC(C)O
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
Names and Synonyms
- 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
- sec-Propanol Synonym
- IPA Synonym
- Autosept Synonym
- IPS 1 (alcohol) Synonym
- IPS 1 Synonym
- Virahol Synonym
- Tokuso IPA Synonym
- NSC 135801 Synonym
- Steri-Fab Synonym
- isopropanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 60.10 g/mol | CAS Common Chemistry |
| 60.096000000000004 g/mol | RDKit | |
| 60.096 g/mol | RDKit | |
| Density | 0.79 g/cm³ | CAS Common Chemistry |
| 0.78505 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Isopropyl_alcohol | 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 |
| 0.3871 | RDKit | |
| Molar Refractivity | 17.354800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 60.057514876 g/mol | RDKit |
| Boiling Point | 82.5 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 60.10 g/mol; density = 0.790 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H8O.
