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594-61-6

594-61-6 structural image
Product Name: 2-Hydroxyisobutyric acid
Formula: C4H8O3
Synonyms: 2-Hydroxy-2-methylpropionic acid;2-Methyllactic acid;alpha-Hydroxyisobutyric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description White crystalline solid; [Sigma-Aldrich MSDS]
Boiling Point 212.00 °C. @ 760.00 mm Hg
Melting Point 82.5 °C
LogP -0.36
Kovats Retention Index 1918
Chemical Classes Other Classes -> Organic Acids

SAFETY INFORMATION

Signal word Danger
Pictogram(s)

Corrosion
Corrosives
GHS05

Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H318:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing 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.
P403+P233:Store in a well-ventilated place. Keep container tightly closed.

COMPUTED DESCRIPTORS

Molecular Weight 104.10 g/mol
XLogP3 -0.4
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 1
Exact Mass 104.047344113 g/mol
Monoisotopic Mass 104.047344113 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 7
Formal Charge 0
Complexity 84.9
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

2-hydroxyisobutyric acid is a 2-hydroxy monocarboxylic acid that is isobutyric acid bearing a hydroxy substituent at position 2. It is a metabolite of methyl tertiary-butyl ether. It has a role as a human xenobiotic metabolite. It is functionally related to an isobutyric acid. It is a conjugate acid of a 2-hydroxyisobutyrate.