CHEMICAL AND PHYSICAL PROPERTIES
Boiling Point | 118.00 to 119.00 °C. @ 760.00 mm Hg |
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Kovats Retention Index | 791 797 791 789 |
Chemical Classes | Other Classes -> Ethers, Other |
SAFETY INFORMATION
Signal word | Danger |
---|---|
Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H332:Acute toxicity,inhalation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. |
COMPUTED DESCRIPTORS
Molecular Weight | 110.15 g/mol |
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XLogP3 | 2.2 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 1 |
Exact Mass | 110.073164938 g/mol |
Monoisotopic Mass | 110.073164938 g/mol |
Topological Polar Surface Area | 13.1 Ų |
Heavy Atom Count | 8 |
Formal Charge | 0 |
Complexity | 70.8 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2-ethyl-5-methylfuran is a member of the class of furans that is furan in which the hydrogens at positions 2 and 5 are replaced by ethyl and methyl groups, respectively. It has a role as a flavouring agent, a human urinary metabolite, a plant metabolite, a fungal metabolite and a mouse metabolite.