Back to Search
2,5-Bis(Hydroxymethyl)Furan
CAS: 1883-75-6 | C6H8O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1883-75-6
Molecular Formula:
C6H8O3
Molecular Weight:
128.12699999999998 g/mol
Names and Synonyms:
2,5-Bis(Hydroxymethyl)Furan
2,5-Dihydroxymethylfurane
2,5-Bis(hydroxylmethyl)furan
NSC 524614
NSC 40737
5-(Hydroxymethyl)furfuryl alcohol
FaRez 6305
2,5-Di(hydroxymethyl)furan
2,5-Bis(hydroxymethyl)furan
2,5-Furandimethanol
Identifiers:
SMILES:
OCc1ccc(CO)o1
InChI:
InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 128.13 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2,5-Bis(hydroxymethyl)furan None | Legacy Database |
| cas-boiling-point | 95-120 °C @ Press: 0.4 Torr None | Legacy Database |
| cas-canonical-smile | OCC=1OC(=CC1)CO None | Legacy Database |
| cas-inchi | InChI=1S/C6H8O3/c7-3-5-1-2-6(4-8)9-5/h1-2,7-8H,3-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=DSLRVRBSNLHVBH-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 80 °C @ Solvent: Water None | Legacy Database |
| cas-name | 2,5-Furandimethanol None | Legacy Database |
| wikipedia-name | 2,5-Bis(hydroxymethyl)furan None | Legacy Database |
| LogP | 0.26420000000000005 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 128.12699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 128.047344116 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 53.6 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 30.55359999999999 | RDKit |
