CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Colourless liquid; Cooked brown and roasted aroma |
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Solubility | Slightly soluble in water; soluble in pentane and diethyl ether |
Density | 0.853-0.857 |
Refractive Index | 1.413-1.418 |
Kovats Retention Index | 820 |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H302:Acute toxicity,oral H312:Acute toxicity,dermal H332:Acute toxicity,inhalation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P280:Wear protective gloves/protective clothing/eye protection/face protection. P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
COMPUTED DESCRIPTORS
Molecular Weight | 84.12 g/mol |
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XLogP3 | 0.8 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 3 |
Exact Mass | 84.057514874 g/mol |
Monoisotopic Mass | 84.057514874 g/mol |
Topological Polar Surface Area | 17.1 Ų |
Heavy Atom Count | 6 |
Formal Charge | 0 |
Complexity | 47.9 |
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
4-Pentenal is an aldehyde.