Basic information
- CAS
3710-43-8- Standard SMILES
Cc1coc(C)c1- InChIKey
AABTWRKUKUPMJG-UHFFFAOYSA-N- Molecular formula
- C6H8O
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.05751488
Overview
2,4-dimethylfuran is a member of the class of furans that is furan in which the hydrogens at positions 2 and 4 are replaced by methyl groups. It has a role as a flavouring agent, a plant metabolite and a human metabolite.
Names & identifiers
- Preferred name
- 2,4-Dimethylfuran
- IUPAC
- 2,4-dimethylfuran
- English name
- 2,4-dimethylfuran
- Molecular formula
- C6H8O
- Molecular weight
- 96.13
Names & synonyms
2,4-DIMETHYLFURANFuran, 2,4-dimethyl-2,4-dimethyl-furan3,5-dimethylfuranWWC3WDX33JCHEBI:89526DTXSID50190602RefChem:82537DTXCID50113093AABTWRKUKUPMJG-UHFFFAOYSA-N3710-43-8MFCD00511327
Show more names
Furagin Impurity 19Furan, 2,?4-?dimethyl-
2,4-Dimethylfuran #UNII-WWC3WDX33JSCHEMBL193267SCHEMBL949924SCHEMBL1013399SCHEMBL1013400SCHEMBL1013887AKOS015905551
Database identifiers
- CAS
3710-43-8- PubChem CID
- 19462
- DTXSID
DTXSID50190602- ChEBI
CHEBI:89526- UNII
- WWC3WDX33J
- Nikkaji
- J376.240H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 13.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 61.2
Experimental & physicochemical properties
SpringerMaterials PropertiesOptical coefficient
Boiling Point94.00 °C. @ 760.00 mm Hg
Physicochemical properties
- Melting point
- -62.8 °C · -62.8°C (estimate)
- Boiling point
- 94 °C · 94°C
- Density
- 0.8993 · 0.8993
- refractive index
- 1.439 · 1.4390
- LogP
- 2.22 · 2.220 (est)
- FDA UNII
- 3 WDX33J · WWC3WDX33J
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Downstream products
Suppliers3 total
湖北扬信医药科技有限公司0714-3999001 19171453112 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Additional notes
DefinitionChEBI: 2,4-dimethylfuran is a member of the class of furans that is furan in which the hydrogens at positions 2 and 4 are replaced by methyl groups. It has a role as a human metabolite, a plant metabolite and a flavouring agent.
Related reactions
2 records
Compound notes
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