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591-12-8

591-12-8 structural image
Product Name: alpha-Angelica lactone
Formula: C5H6O2
Synonyms: 4-Hydroxy-3-pentenoic acid γ-lactone;5-Methyl-2(3H)-furanone;alpha-Angelica lactone
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CHEMICAL AND PHYSICAL PROPERTIES

Kovats Retention Index 830.1 830.1 835 836 892.7

SAFETY INFORMATION

Signal word Warning
Pictogram(s)

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
H303:Acute toxicity,oral
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 98.10 g/mol
XLogP3 0.6
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 0
Exact Mass 98.036779430 g/mol
Monoisotopic Mass 98.036779430 g/mol
Topological Polar Surface Area 26.3 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 124
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

Alpha-angelica lactone is an angelica lactone and a butenolide. It is functionally related to a but-3-en-4-olide. It is a tautomer of a beta-angelica lactone.