CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Liquid; roast meat aroma |
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Boiling Point | 213.00 to 217.00 °C. @ 760.00 mm Hg |
Solubility | Insoluble in water,soluble in organic solvents,oils |
Density | 1.203-1.208 |
Refractive Index | 1.558-1.563 |
Kovats Retention Index | 1147 1153 1137 1155 1150 |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Skull and Crossbones Acute Toxicity GHS06 |
GHS Hazard Statements |
H301:Acute toxicity,oral |
Precautionary Statement Codes |
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
COMPUTED DESCRIPTORS
Molecular Weight | 160.3 g/mol |
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XLogP3 | 1.9 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 3 |
Rotatable Bond Count | 2 |
Exact Mass | 160.00165722 g/mol |
Monoisotopic Mass | 160.00165722 g/mol |
Topological Polar Surface Area | 63.7 Ų |
Heavy Atom Count | 9 |
Formal Charge | 0 |
Complexity | 87.1 |
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-methyl-3-methyldithiofuran is a metabolite found in or produced by Saccharomyces cerevisiae.