-
Name
dimethylfuran
- EINECS
- CAS No. 28802-49-5
- Density 0.9385 (rough estimate)
- Solubility
- Melting Point
- Formula C6H8 O
- Boiling Point 150°C (estimate)
- Molecular Weight 96.14
- Flash Point
- Transport Information
- Appearance
- Safety A poison by ingestion. Moderately toxic by skin contact. A skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Dimethylfuran
- PSA 13.14000
- LogP 1.89640
Dimethyl furane Chemical Properties
Molecule structure of Dimethyl furane (CAS NO.28802-49-5) :
IUPAC Name: 2,3-dimethylfuran
Molecular Weight: 96.12712 g/mol
Molecular Formula: C6H8O
Density: 0.917 g/cm3
Boiling Point: 101 °C at 760 mmHg
Flash Point: 5 °C
Index of Refraction: 1.45
Molar Refractivity: 28.2 cm3
Molar Volume: 104.7 cm3
Polarizability: 11.18*10-24 cm3
Surface Tension: 25.9 dyne/cm
Enthalpy of Vaporization: 32.62 kJ/mol
Vapour Pressure: 41.3 mmHg at 25 °C
XLogP3-AA: 1.8
H-Bond Acceptor: 1
Exact Mass: 96.057515
MonoIsotopic Mass: 96.057515
Topological Polar Surface Area: 13.1
Heavy Atom Count: 7
Complexity: 61.2
Canonical SMILES: CC1=C(OC=C1)C
InChI: InChI=1S/C6H8O/c1-5-3-4-7-6(5)2/h3-4H,1-2H3
InChIKey: FJSKXQVRKZTKSI-UHFFFAOYSA-N
EINECS: 249-235-2
Product Categories Dimethyl furane (CAS NO.28802-49-5) : Pharmaceutical Intermediates
Dimethyl furane Toxicity Data With Reference
| 1. | skn-rbt 10 mg/24H open | JIHTAB Journal of Industrial Hygiene and Toxicology. 26 (1944),269. | ||
| 2. | eye-rbt 20 mg SEV | AJOPAA American Journal of Ophthalmology. 29 (1946),1363. | ||
| 3. | orl-rat LD50:300 mg/kg | JIDHAN Journal of Industrial Hygiene. 26 (1944),269. | ||
| 4. | skn-gpg LD50:1000 mg/kg | JIHTAB Journal of Industrial Hygiene and Toxicology. 26 (1944),269. |
Dimethyl furane Safety Profile
A poison by ingestion. Moderately toxic by skin contact. A skin and severe eye irritant. When heated to decomposition it emits acrid smoke and irritating fumes.
Dimethyl furane Specification
Dimethyl furane (CAS NO.28802-49-5) is also called Dimethylfuran ; Furan, dimethyl- .
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