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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
Safety
Found in products
Vendor products containing this compound. Click through to the SDS revision history. Vendor URLs may rot; the linked PDFs are frozen copies retrieved on the listed date.
Convert
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.
