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Molecule
Tetrahydrofurfuryl Alcohol
CAS: 97-99-4 · C5H10O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 97-99-4
- Molecular Formula
- C5H10O2
- Molecular Mass
- 102.13 g/mol
Identifiers
CAS Registry Number
97-99-4
SMILES
OCC1CCCO1
InChI Key
BSYVTEYKTMYBMK-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
Names and Synonyms
- Tetrahydrofurfuryl Alcohol Common Name
- 2-Furanmethanol, tetrahydro- Synonym
- Furfuryl alcohol, tetrahydro- Synonym
- Tetrahydro-2-furanmethanol Synonym
- QO THFA Synonym
- Tetrahydro-2-furancarbinol Synonym
- Tetrahydrofurfuryl alcohol Synonym
- Tetrahydro-2-furylmethanol Synonym
- THFA Synonym
- 2-(Hydroxymethyl)tetrahydrofuran Synonym
- Tetrahydro-2-furanylmethanol Synonym
- Rac-(Tetrahydrofuran-2-yl)methanol Synonym
- NSC 15434 Synonym
- (Tetrahydrofuran-2-yl)methanol Synonym
- (±)-Tetrahydrofurfuryl alcohol Synonym
- (Oxolan-2-yl)methanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 102.13 g/mol | CAS Common Chemistry |
| 102.13300000000001 g/mol | RDKit | |
| 102.133 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0544 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrahydrofurfuryl_alcohol | CAS Common Chemistry |
| Canonical SMILES | OCC1OCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=BSYVTEYKTMYBMK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | <-80 °C | CAS Common Chemistry |
| Name | Tetrahydrofurfuryl alcohol | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 29.46 Ų | RDKit |
| LogP | 0.15769999999999995 | RDKit |
| 0.1577 | RDKit | |
| Molar Refractivity | 26.05979999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 102.06807956 g/mol | RDKit |
| Boiling Point | 178 °C @ 760 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 102.13 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O2.
