591-12-8
Product Name:
alpha-Angelica lactone
Formula:
C5H6O2
Synonyms:
4-Hydroxy-3-pentenoic acid γ-lactone;5-Methyl-2(3H)-furanone;alpha-Angelica lactone
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Kovats Retention Index | 830.1 830.1 835 836 892.7 |
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SAFETY INFORMATION
Signal word | Warning |
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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 |
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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.