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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
Names and Synonyms:
Tetrahydrofurfuryl Alcohol
2-Furanmethanol, tetrahydro-
Furfuryl alcohol, tetrahydro-
Tetrahydro-2-furanmethanol
QO THFA
Tetrahydro-2-furancarbinol
Tetrahydrofurfuryl alcohol
Tetrahydro-2-furylmethanol
THFA
2-(Hydroxymethyl)tetrahydrofuran
Tetrahydro-2-furanylmethanol
Rac-(Tetrahydrofuran-2-yl)methanol
NSC 15434
(Tetrahydrofuran-2-yl)methanol
(±)-Tetrahydrofurfuryl alcohol
(Oxolan-2-yl)methanol
Identifiers:
SMILES:
OCC1CCCO1
InChI:
InChI=1S/C5H10O2/c6-4-5-2-1-3-7-5/h5-6H,1-4H2
Key Properties
Boiling Point
178 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
<-80 °C
CAS Common Chemistry
Density
1.05 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 | 102.13 g/mol | CAS Common Chemistry |
| 102.13300000000001 g/mol | RDKit | |
| 102.06807956 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0544 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tetrahydrofurfuryl_alcohol | CAS Common Chemistry |
| Boiling Point | 178 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 26.05979999999999 | RDKit |
