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1576-87-0

1576-87-0 structural image
Product Name: trans-2-Pentenal
Formula: C5H8O
Synonyms: (E)-2-Pentenal;2-Ethylacrylic aldehyde
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Clear liquid with a pungent odor; mp = 16 deg C; [MSDSonline]
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
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
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.