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591-80-0

591-80-0 structural image
Product Name: Allylacetic acid
Formula: C5H8O2
Synonyms: 3-Vinylpropionic acid;Allylacetic acid;Propargylacetic acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Liquid
Melting Point -22.5 °C
Solubility slightly soluble in water; soluble in alcohol and ether
Density 0.970-0.990 (20°)
Refractive Index 1.425-1.431

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H302:Acute toxicity,oral
H314:Skin corrosion/irritation
Precautionary Statement Codes P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P330+P331:IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

COMPUTED DESCRIPTORS

Molecular Weight 100.12 g/mol
XLogP3 0.8
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 100.052429494 g/mol
Monoisotopic Mass 100.052429494 g/mol
Topological Polar Surface Area 37.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 76.1
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

Pent-4-enoic acid is a pentenoic acid having the double bond at position 4. It is a conjugate acid of a pent-4-enoate.

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