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Molecule
Glycol Monopropyl Ether
CAS: 2807-30-9 · C5H12O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 2807-30-9
- Molecular Formula
- C5H12O2
- Molecular Mass
- 104.15 g/mol
Identifiers
CAS Registry Number
2807-30-9
SMILES
CCCOCCO
InChI Key
YEYKMVJDLWJFOA-UHFFFAOYSA-N
InChI
InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3
Names and Synonyms
- Glycol Monopropyl Ether Common Name
- Ethanol, 2-propoxy- Synonym
- 2-Propoxyethanol Synonym
- Ethylene glycol monopropyl ether Synonym
- Ethylene glycol mono-n-propyl ether Synonym
- Propyl cellosolve Synonym
- Propoxyethanol Synonym
- Propyl glycol Synonym
- 2-(Propyloxy)ethanol Synonym
- Ethylene glycol propyl ether Synonym
- Ektasolve EP Synonym
- 2-Propoxy-1-ethanol Synonym
- Glycol monopropyl ether Synonym
- 2-Hydroxyethyl propyl ether Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 104.15 g/mol | CAS Common Chemistry |
| 104.14899999999999 g/mol | RDKit | |
| 104.149 g/mol | RDKit | |
| Density | 0.91 g/cm³ | CAS Common Chemistry |
| 0.9112 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Canonical SMILES | OCCOCCC | CAS Common Chemistry |
| InChI | InChI=1S/C5H12O2/c1-2-4-7-5-3-6/h6H,2-5H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YEYKMVJDLWJFOA-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -90 °C | CAS Common Chemistry |
| Name | Glycol monopropyl ether | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.40530000000000005 | RDKit |
| 0.4053 | RDKit | |
| Molar Refractivity | 28.195799999999988 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 | 150-152 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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Quick conversion
MW = 104.15 g/mol; density = 0.910 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H12O2.
