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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
Names and Synonyms:
1,2-Epoxybutane
Oxirane, 2-ethyl-
Butane, 1,2-epoxy-
Oxirane, ethyl-
2-Ethyloxirane
1-Butene oxide
1,2-Butene oxide
1,2-Butylene oxide
1,2-Epoxybutane
Ethylethylene oxide
α-Butylene oxide
Ethyloxirane
1-Butylene oxide
Butene 1,2-epoxide
1,2-Butylene epoxide
DL-1,2-Epoxybutane
(±)-Ethyloxirane
(±)-2-Ethyloxirane
Epoxybutane
NSC 24240
Butylene oxide
1,2-Cyclobutane epoxide
Identifiers:
SMILES:
CCC1CO1
InChI:
InChI=1S/C4H8O/c1-2-4-3-5-4/h4H,2-3H2,1H3
Key Properties
Boiling Point
63.3 °C
CAS Common Chemistry
Melting Point
-150 °C
CAS Common Chemistry
Density
0.83 g/cm³
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.11 g/mol | CAS Common Chemistry |
| 72.107 g/mol | RDKit | |
| 72.057514876 g/mol | RDKit | |
| Density | 0.83 g/cm³ | CAS Common Chemistry |
| 0.8297 g/cm3 @ Temp: 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 | RDKit |
