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2-[(2-Oxiranylmethoxy)Methyl]Furan
CAS: 5380-87-0 | C8H10O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
5380-87-0
Molecular Formula:
C8H10O3
Molecular Mass:
154.17 g/mol
Names and Synonyms:
2-[(2-Oxiranylmethoxy)Methyl]Furan
Furan, 2-[(2-oxiranylmethoxy)methyl]-
Furan, 2-[(2,3-epoxypropoxy)methyl]-
Furan, 2-[(oxiranylmethoxy)methyl]-
2-[(2-Oxiranylmethoxy)methyl]furan
Furfuryl glycidyl ether
2-[(2,3-Epoxypropoxy)methyl]furan
2-((Furan-2-ylmethyl)oxymethyl)oxirane
Glycidyl furfuryl ether
2-(Glycidyloxymethyl)furan
2-Furylmethyl glycidyl ether
2-Oxiranylmethoxymethyl-furan
Identifiers:
SMILES:
c1coc(COCC2CO2)c1
InChI:
InChI=1S/C8H10O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h1-3,8H,4-6H2
Key Properties
Boiling Point
85.5-87 °C @ Press: 1.5 Torr
CAS Common Chemistry
Density
1.15 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
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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 |
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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 | 154.17 g/mol | CAS Common Chemistry |
| 154.165 g/mol | RDKit | |
| 154.06299418 g/mol | RDKit | |
| Density | 1.15 g/cm³ | CAS Common Chemistry |
| 1.1452 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 85.5-87 °C @ Press: 1.5 Torr | CAS Common Chemistry |
| Canonical SMILES | O1C=CC=C1COCC2OC2 | CAS Common Chemistry |
| InChI | InChI=1S/C8H10O3/c1-2-7(10-3-1)4-9-5-8-6-11-8/h1-3,8H,4-6H2 | CAS Common Chemistry |
| InChI Key | InChIKey=RUGWIVARLJMKDM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[(2-Oxiranylmethoxy)methyl]furan | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 34.9 Ų | RDKit |
| LogP | 1.195 | RDKit |
| Molar Refractivity | 38.104000000000006 | RDKit |
