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565-63-9

565-63-9 structural image
Product Name: ANGELIC ACID
Formula: C5H8O2
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 85.50 to 87.50 °C. @ 13.00 mm Hg
Melting Point 45 °C
Solubility slightly soluble in hot water
Kovats Retention Index 919.7 898

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05
GHS Hazard Statements H290:Corrosive to Metals
H314:Skin corrosion/irritation
Precautionary Statement Codes P234:Keep only in original container.
P260:Do not breathe dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P390:Absorb spillage to prevent material damage.
P405:Store locked up.
P406:Store in corrosive resistant/… container with a resistant inner liner.
P501:Dispose of contents/container to..…

COMPUTED DESCRIPTORS

Molecular Weight 100.12 g/mol
XLogP3 1
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 1
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 103
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

Angelic acid is the (Z)-isomer of 2-methylbut-2-enoic acid. It is found in plant species of the family Apiaceae. It has a role as a plant metabolite. It is functionally related to an isocrotonic acid.