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Molecule
1,2-Epoxybutane
CAS: 106-88-7 · C4H8O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 106-88-7
- Molecular Formula
- C4H8O
- Molecular Mass
- 72.11 g/mol
Identifiers
CAS Registry Number
106-88-7
SMILES
CCC1CO1
InChI Key
RBACIKXCRWGCBB-UHFFFAOYSA-N
InChI
InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
Names and Synonyms
- 1,2-Epoxybutane Synonym
- Oxirane, 2-ethyl- Synonym
- Butane, 1,2-epoxy- Synonym
- Oxirane, ethyl- Synonym
- 2-Ethyloxirane Synonym
- 1-Butene oxide Synonym
- 1,2-Butene oxide Synonym
- 1,2-Butylene oxide Synonym
- 1,2-Epoxybutane Synonym
- Ethylethylene oxide Synonym
- α-Butylene oxide Synonym
- Ethyloxirane Synonym
- 1-Butylene oxide Synonym
- Butene 1,2-epoxide Synonym
- 1,2-Butylene epoxide Synonym
- DL-1,2-Epoxybutane Synonym
- (±)-Ethyloxirane Synonym
- (±)-2-Ethyloxirane Synonym
- Epoxybutane Synonym
- NSC 24240 Synonym
- Butylene oxide Synonym
- 1,2-Cyclobutane epoxide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.107 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8297 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/1,2-Epoxybutane | CAS Common Chemistry |
| Boiling Point | 63.3 °C | CAS Common Chemistry |
| Canonical SMILES | O1CC1CC | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RBACIKXCRWGCBB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -150 °C | CAS Common Chemistry |
| Name | 1,2-Epoxybutane | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.53 Ų | RDKit |
| LogP | 0.7952 | RDKit |
| Molar Refractivity | 20.030999999999995 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 72.057514876 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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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 = 72.11 g/mol; density = 0.830 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4H8O.
