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Molecule
Ethylene Glycol Monoallyl Ether
CAS: 111-45-5 · C5H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 111-45-5
- Molecular Formula
- C5H10O2
- Molecular Mass
- 102.13 g/mol
Identifiers
CAS Registry Number
111-45-5
SMILES
C=CCOCCO
InChI Key
GCYHRYNSUGLLMA-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2
Names and Synonyms
- Ethylene Glycol Monoallyl Ether Common Name
- Ethanol, 2-(2-propen-1-yloxy)- Synonym
- Ethanol, 2-(allyloxy)- Synonym
- Ethanol, 2-(2-propenyloxy)- Synonym
- 2-(2-Propen-1-yloxy)ethanol Synonym
- Allyl Cellosolve Synonym
- 2-(Allyloxy)ethanol Synonym
- Ethylene glycol allyl ether Synonym
- Allyl 2-hydroxyethyl ether Synonym
- 6-Hydroxy-4-oxa-1-hexene Synonym
- Ethylene glycol monoallyl ether Synonym
- 2-(2-Propenyloxy)ethanol Synonym
- Hydroxyethyl allyl ether Synonym
- Lioxasol Synonym
- 2-Hydroxyethyl allyl ether Synonym
- NSC 32614 Synonym
- Allyl monoethoxylate Synonym
- Allyl alcohol monoethoxylate Synonym
- Hansa ADD 4035 Synonym
- 2-(Prop-2-en-1-yloxy)ethan-1-ol Synonym
- 2-Prop-2-enoxyethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.13 g/mol | CAS Common Chemistry |
| 102.133 g/mol | RDKit | |
| Density | 0.96 g/cm³ | CAS Common Chemistry |
| 0.958 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 158.5 °C | CAS Common Chemistry |
| Canonical SMILES | OCCOCC=C | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O2/c1-2-4-7-5-3-6/h2,6H,1,3-5H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GCYHRYNSUGLLMA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethylene glycol monoallyl 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 | 0.18129999999999996 | RDKit |
| 0.1813 | RDKit | |
| Molar Refractivity | 28.101799999999987 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6 | RDKit |
| Exact Mass | 102.06807956 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| 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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MW = 102.13 g/mol; density = 0.960 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O2.
