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2-Ethyl-2-hydroxybutanoic acid

CAT: 0804-HY-142105-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-142105-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
2-Ethyl-2-hydroxybutanoic acid (2-Ethyl-2-hydroxybutyric acid) is a hydroxy fatty acid. 2-Ethyl-2-hydroxybutanoic is a metabolite of DEHP.
CAS Number
3639-21-2
Product Name Alternative
2-Ethyl-2-hydroxybutyric acid
UNSPSC
12352211
Hazard Statement
H315, H319, H335
Target
Endogenous Metabolite
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/2-ethyl-2-hydroxybutanoic-acid.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
CCC(O)(CC)C(O)=O
Molecular Formula
C6H12O3
Molecular Weight
132.16
Precautions
H315, H319, H335
References & Citations
[1]Fu X, et, al. Di- (2-ethylhexyl) phthalate exposure induces female reproductive toxicity and alters the intestinal microbiota community structure and fecal metabolite profile in mice. Environ Toxicol. 2021 Jun;36 (6) :1226-1242.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-Ethyl-2-hydroxybutanoic acid

2-Ethyl-2-hydroxy-butyric acid is a hydroxy fatty acid.

CAS Number3639-21-2
PubChem CID77199
IUPAC Name2-ethyl-2-hydroxybutanoic acid
Molecular FormulaC6H12O3
Molecular Weight132.16
XLogP0.8
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count9
Formal Charge0
Complexity105
SMILES
CCC(CC)(C(=O)O)O
InChI
InChI=1S/C6H12O3/c1-3-6(9,4-2)5(7)8/h9H,3-4H2,1-2H3,(H,7,8)
InChIKey
LXVSANCQXSSLPA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-2-hydroxybutanoic acid
CAS: 3639-21-2
CID: 77199
Formula: C6H12O3
MW: 132.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight132.16
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass132.078644241
Monoisotopic Mass132.078644241
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity105
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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