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498-36-2

498-36-2 structural image
Product Name: DL-LEUCIC ACID
Formula: C6H12O3
Synonyms: DL-leucic acid;2-Hydroxy-4-methylvaleric acid
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CHEMICAL AND PHYSICAL PROPERTIES

Physical Description Solid
Boiling Point 249.00 °C. @ 760.00 mm Hg
Melting Point 76.00 °C. @ 760.00 mm Hg
Solubility 886 mg/mL

SAFETY INFORMATION

Signal word Warning
Pictogram(s)
GHS07
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
Precautionary Statement Codes P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.

COMPUTED DESCRIPTORS

Molecular Weight 132.16 g/mol
XLogP3 0.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 132.078644241 g/mol
Monoisotopic Mass 132.078644241 g/mol
Topological Polar Surface Area 57.5 Ų
Heavy Atom Count 9
Formal Charge 0
Complexity 98.5
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 1
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

PRODUCT INTRODUCTION

description

2-hydroxy-4-methylvaleric acid is a valeric acid derivative having a hydroxy substituent at the 2-position and a methyl substituent at the 4-position; an alpha-hydroxy analogue of leucine. A bacterial metabolite, it has also been isolated from amniotic fluid, was found in a patient with dihydrolipoyl dehydrogenase deficiency and is present in the urine of patients with short bowel syndrome. It has a role as a metabolite. It is a 2-hydroxy fatty acid and a branched-chain fatty acid. It is functionally related to a valeric acid. It is a conjugate acid of a 2-hydroxy-4-methylvalerate.