1576-87-0
Product Name:
trans-2-Pentenal
Formula:
C5H8O
Synonyms:
(E)-2-Pentenal;2-Ethylacrylic aldehyde
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | Clear liquid with a pungent odor; mp = 16 deg C; [MSDSonline] |
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Solubility | Insoluble in water; soluble in PG, in most fixed oils |
Density | 0.850-0.856 (21°) |
Refractive Index | 1.440-1.447 (21°) |
Kovats Retention Index | 724.3 724.3 724 721.4 727 730 723 730 743 744 728 743 718 724 723 723 723 723 725 |
Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
Signal word | Danger |
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Pictogram(s) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 |
GHS Hazard Statements |
H225:Flammable liquids H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation |
Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
Molecular Weight | 84.12 g/mol |
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XLogP3 | 1 |
Hydrogen Bond Donor Count | 0 |
Hydrogen Bond Acceptor Count | 1 |
Rotatable Bond Count | 2 |
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 | 55 |
Isotope Atom Count | 0 |
Defined Atom Stereocenter Count | 0 |
Undefined Atom Stereocenter Count | 0 |
Defined Bond Stereocenter Count | 1 |
Undefined Bond Stereocenter Count | 0 |
Covalently-Bonded Unit Count | 1 |
Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
(E)-2-pentenal is a 2-pentenal in which the double bond has (E)-configuration. It is found in cigarette smoke, virgin olive oil, and milk. It has a role as a plant metabolite.