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Furfuryl Alcohol
CAS: 98-00-0 | C5H6O2
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
98-00-0
Molecular Formula:
C5H6O2
Molecular Mass:
98.10 g/mol
Names and Synonyms:
Furfuryl Alcohol
2-Furanmethanol
2-Furylmethanol
2-Furanylmethanol
Chem-Rez 200
Furfuranol
NSC 8843
2-Furylmethyl alcohol
Chem-Rez Fury 454
Furfuryl alcohol
2-Furancarbinol
Furfuralcohol
α-Furylcarbinol
2-Furylcarbinol
Furylcarbinol
2-Furfuryl alcohol
2-(Hydroxymethyl)furan
5-Hydroxymethylfuran
α-Furfuryl alcohol
Identifiers:
SMILES:
OCc1ccco1
InChI:
InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
Key Properties
Boiling Point
171 °C @ Press: 750 Torr
CAS Common Chemistry
Melting Point
-15 °C
CAS Common Chemistry
Density
1.13 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 | 98.10 g/mol | CAS Common Chemistry |
| 98.10099999999998 g/mol | RDKit | |
| 98.036779432 g/mol | RDKit | |
| Density | 1.13 g/cm³ | CAS Common Chemistry |
| 1.1296 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Furfuryl_alcohol | CAS Common Chemistry |
| Boiling Point | 171 °C @ Press: 750 Torr | CAS Common Chemistry |
| Canonical SMILES | OCC=1OC=CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6O2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XPFVYQJUAUNWIW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -15 °C | CAS Common Chemistry |
| Name | Furfuryl 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 | 1 | RDKit |
| Topological Polar Surface Area | 33.370000000000005 Ų | RDKit |
| LogP | 0.7719 | RDKit |
| Molar Refractivity | 24.630799999999994 | RDKit |
