CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; Vegetable, fruity aroma |
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Boiling Point | 93.00 to 94.00 °C. @ 14.00 mm Hg |
Solubility | Insoluble in water; Soluble in oils |
Density | 1.006-1.012 |
Refractive Index | 1.575-1.581 |
SAFETY INFORMATION
Signal word | Warning |
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Pictogram(s) |
Flame Flammables GHS02 |
GHS Hazard Statements |
H226:Flammable liquids |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P240:Ground/bond container and receiving equipment. P241:Use explosion-proof electrical/ventilating/lighting/…/equipment. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
COMPUTED DESCRIPTORS
Molecular Weight | 152.19 g/mol |
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XLogP3 | 1.4 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 2 |
Rotatable Bond Count | 3 |
Exact Mass | 152.083729621 g/mol |
Monoisotopic Mass | 152.083729621 g/mol |
Topological Polar Surface Area | 30.2 Ų |
Heavy Atom Count | 11 |
Formal Charge | 0 |
Complexity | 134 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 1 |
Defined Bond Stereocenter Count | 0 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
3-(5-Methyl-2-furanyl)butanal is a heteroarene.