3,4-Dimethylfuran
Basic information
- CAS
20843-07-6- Standard SMILES
Cc1cocc1C- InChIKey
IVHPMIPYSOTYNM-UHFFFAOYSA-N- Molecular formula
- C6H8O
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.05751487
Names & identifiers
- Preferred name
- 3,4-Dimethylfuran
- IUPAC
- 3,4-dimethylfuran
- English name
- 3,4-dimethylfuran
- Molecular formula
- C6H8O
- Molecular weight
- 96.13
Names & synonyms
3,4-dimethylfuranFuran, 3,4-dimethyl-DTXSID30174960RefChem:271209DTXCID0097451958-918-0IVHPMIPYSOTYNM-UHFFFAOYSA-N20843-07-6MFCD017260193,4-Dimethyl-furanSCHEMBL266735SCHEMBL426079
Show more names
Furagin Impurity 21
SCHEMBL8833394AKOS030239789DB-066343EN300-251360
Database identifiers
- CAS
20843-07-6- PubChem CID
- 34338
- DTXSID
DTXSID30174960- EC Number
- 958-918-0
- Nikkaji
- J787.015I
Properties
Computed structural properties
- XLogP
- 1.7
- 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
- 53.2
Physicochemical properties
- Melting point
- -62.8 °C · -62.8°C (estimate)
- Boiling point
- 103.2 · 103.2±9.0℃ (760 Torr)
- Density
- 0.917 · 0.917±0.06 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.442 · 1.4420 (estimate)
- Flash point
- 6.6 · 6.6±5.6℃
- solubility
- Chloroform (Sparingly), Hexane (Slightly)
- form
- Oil
- color
- Colourless to Pale Yellow
- Stability
- Volatile
- LogP
- 2.494 · 2.494 (est)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Suppliers
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Related reactions
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Compound notes
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