594-61-6
Product Name:
2-Hydroxyisobutyric acid
Formula:
C4H8O3
Synonyms:
2-Hydroxy-2-methylpropionic acid;2-Methyllactic acid;alpha-Hydroxyisobutyric acid
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
Physical Description | White crystalline solid; [Sigma-Aldrich MSDS] |
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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 |
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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 |
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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.