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Molecule
2-Isopropoxyethanol
CAS: 109-59-1 · C5H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 109-59-1
- Molecular Formula
- C5H12O2
- Molecular Mass
- 104.15 g/mol
Identifiers
CAS Registry Number
109-59-1
SMILES
CC(C)OCCO
InChI Key
HCGFUIQPSOCUHI-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3
Names and Synonyms
- 2-Isopropoxyethanol Synonym
- Ethanol, 2-(1-methylethoxy)- Synonym
- Ethanol, 2-isopropoxy- Synonym
- 2-(1-Methylethoxy)ethanol Synonym
- Dowanal EiPAT Synonym
- Ethylene glycol isopropyl ether Synonym
- Ethylene glycol monisopropyl ether Synonym
- Ethylene glycol monoisopropyl ether Synonym
- β-Hydroxyethyl isopropyl ether Synonym
- 2-Isopropoxyethanol Synonym
- Isopropyl Cellosolve Synonym
- Isopropyl Oxitol Synonym
- Ucar AC Synonym
- 2-Isopropyloxyethanol Synonym
- NSC 1259 Synonym
- 2-[(1-Methylethyl)oxy]ethanol Synonym
- 2-(Propan-2-yloxy)ethanol Synonym
- 2-(Propan-2-yloxy)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.15 g/mol | CAS Common Chemistry |
| 104.149 g/mol | RDKit | |
| Density | 0.90 g/cm³ | CAS Common Chemistry |
| 0.9030 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOC(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O2/c1-5(2)7-4-3-6/h5-6H,3-4H2,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HCGFUIQPSOCUHI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-Isopropoxyethanol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.4037 | RDKit |
| Molar Refractivity | 28.173799999999986 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 104.083729624 g/mol | RDKit |
| Boiling Point | 144 °C @ 743 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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120
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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 = 104.15 g/mol; density = 0.900 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O2.
