1-(3-Furyl)-1-ethanol
Basic information
- CAS
13129-26-5- Standard SMILES
CC(O)c1ccoc1- InChIKey
JFYCKQFLCOKZGA-UHFFFAOYSA-N- Molecular formula
- C6H8O2
- Average molar mass
- 112.13 g/mol
- Monoisotopic mass
- 112.05242949
Names & identifiers
- Preferred name
- 1-(3-Furyl)-1-ethanol
- IUPAC
- 1-(furan-3-yl)ethanol
- English name
- 1-(3-Furyl)-1-ethanol
- Molecular formula
- C6H8O2
- Molecular weight
- 112.13
Names & synonyms
1-(3-furyl)-1-ethanol1-(furan-3-yl)ethanol13129-26-51-(furan-3-yl)ethan-1-ol1-(3-furyl)ethanolMFCD02082436SCHEMBL2008983SCHEMBL3949654SCHEMBL5564954SCHEMBL27607416DTXSID40397300AKOS005071376
Show more names
3-Furanmethanol, α-methyl-
SB47102SB61444CS-02753949M-902EN300-295876
Database identifiers
- CAS
13129-26-5- PubChem CID
- 3849989
- DTXSID
DTXSID40397300- Nikkaji
- J611.449K
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 33.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.9
Physicochemical properties
- Boiling point
- 42 · 42-43°/0.7mm
- HazardClass
- IRRITANT
- HS Code
- 2932190090 · 2932190090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2932190090
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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