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3-Hydroxytetrahydrofuran
CAS: 453-20-3 | C4H8O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
453-20-3
Molecular Formula:
C4H8O2
Molecular Mass:
88.11 g/mol
Names and Synonyms:
3-Hydroxytetrahydrofuran
3-Furanol, tetrahydro-
3-Furanol, tetrahydro-, (±)-
Tetrahydro-3-furanol
3-Hydroxytetrahydrofuran
3-Hydroxyoxolane
(RS)-3-Hydroxytetrahydrofuran
(±)-3-Hydroxytetrahydrofuran
NSC 71875
Riftal
3-Oxacyclopentanol
Oxolan-3-ol
(3RS)-3-Hydroxytetrahydrofuran
Identifiers:
SMILES:
OC1CCOC1
InChI:
InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2
Key Properties
Boiling Point
181 °C
CAS Common Chemistry
Density
1.09 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 | 88.11 g/mol | CAS Common Chemistry |
| 88.106 g/mol | RDKit | |
| 88.052429496 g/mol | RDKit | |
| Density | 1.09 g/cm³ | CAS Common Chemistry |
| 1.087 g/cm3 @ Temp: 19.14 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/3-Hydroxytetrahydrofuran | CAS Common Chemistry |
| Boiling Point | 181 °C | CAS Common Chemistry |
| Canonical SMILES | OC1COCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XDPCNPCKDGQBAN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (±)-3-Hydroxytetrahydrofuran | CAS Common Chemistry |
| 3-Hydroxytetrahydrofuran | CAS Common Chemistry | |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | -0.23239999999999994 | RDKit |
| Molar Refractivity | 21.442799999999995 | RDKit |
