2-Hydroxyisobutyric acid is an endogenously produced metabolite.

Physicochemical Properties

Molecular Formula	C4H8O3
Molecular Weight	104.11
Exact Mass	104.047
CAS #	594-61-6
Related CAS #	2-Hydroxyisobutyric acid-d6;40662-45-1
PubChem CID	11671
Appearance	White to off-white solid powder
Density	1.2±0.1 g/cm3
Boiling Point	212.0±0.0 °C at 760 mmHg
Melting Point	76-80 °C(lit.)
Flash Point	104.9±16.3 °C
Vapour Pressure	0.0±0.9 mmHg at 25°C
Index of Refraction	1.457
LogP	-0.35
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	7
Complexity	84.9
Defined Atom Stereocenter Count	0
InChi Key	BWLBGMIXKSTLSX-UHFFFAOYSA-N
InChi Code	InChI=1S/C4H8O3/c1-4(2,7)3(5)6/h7H,1-2H3,(H,5,6)
Chemical Name	2-hydroxy-2-methylpropanoic acid
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Additional Infomation

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. 2-Hydroxyisobutyric acid has been reported in Glycine max, Capsicum annuum, and other organisms with data available.

Solubility Data

Solubility (In Vitro)

DMSO :~100 mg/mL (~960.52 mM) H2O :≥ 100 mg/mL (~960.52 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (24.01 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (24.01 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (24.01 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	9.6052 mL	48.0261 mL	96.0523 mL
	5 mM	1.9210 mL	9.6052 mL	19.2105 mL
	10 mM	0.9605 mL	4.8026 mL	9.6052 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.