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Molecule
Α-Methyl-2-Furanmethanol
CAS: 4208-64-4 · C6H8O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 4208-64-4
- Molecular Formula
- C6H8O2
- Molecular Mass
- 112.13 g/mol
Identifiers
CAS Registry Number
4208-64-4
SMILES
CC(O)c1ccco1
InChI Key
UABXUIWIFUZYQK-UHFFFAOYSA-N
InChI
InChI=1S/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3
Names and Synonyms
- Α-Methyl-2-Furanmethanol Common Name
- 2-Furanmethanol, α-methyl- Synonym
- Furfuryl alcohol, α-methyl- Synonym
- α-Methyl-2-furanmethanol Synonym
- α-Methylfurfuryl alcohol Synonym
- 2-(1-Hydroxyethyl)furan Synonym
- 1-(2-Furyl)ethanol Synonym
- 1-(2′-Furyl)ethanol Synonym
- (±)-1-(2-Furyl)ethanol Synonym
- 1-(2-Furanyl)ethanol Synonym
- 1-(2-Furyl)-1-ethanol Synonym
- 1-(Furan-2-yl)ethan-1-ol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 112.13 g/mol | CAS Common Chemistry |
| 112.12799999999997 g/mol | RDKit | |
| 112.128 g/mol | RDKit | |
| Density | 1.08 g/cm³ | CAS Common Chemistry |
| 1.0771 g/cm3 @ 25 °C | CAS Common Chemistry | |
| Boiling Point | 162.5 °C | CAS Common Chemistry |
| Canonical SMILES | OC(C=1OC=CC1)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H8O2/c1-5(7)6-3-2-4-8-6/h2-5,7H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=UABXUIWIFUZYQK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 256-259 °C @ Solvent: Water, Ethanol | CAS Common Chemistry |
| Name | α-Methyl-2-furanmethanol | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 |
| 33.37 Ų | RDKit | |
| LogP | 1.3329 | RDKit |
| 1.3 | chempirical lib | |
| Molar Refractivity | 29.341799999999992 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| Exact Mass | 112.052429496 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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| Shift (ppm) | DEPT | Assignment |
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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 = 112.13 g/mol; density = 1.080 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H8O2.
