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3-Hydroxybutyric acid

CAT: 0804-HY-113378-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113378-01Size:100 mg
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Description
3-Hydroxybutyric acid (β-Hydroxybutyric acid) is a metabolite that is elevated in type I diabetes. 3-Hydroxybutyric acid can modulate the properties of membrane lipids[1].
CAS Number
300-85-6
Product Name Alternative
β-Hydroxybutyric acid
UNSPSC
12352211
Hazard Statement
H302, H315, H319, H335
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/3-Hydroxybutyric_acid.html
Concentration
10mM
Purity
99.79
Solubility
0.1 M NaOH : 100 mg/mL (ultrasonic; adjust pH to 6 with NaOH) |H2O : 50 mg/mL (ultrasonic)
Smiles
CC(O)CC(O)=O
Molecular Formula
C4H8O3
Molecular Weight
104.10
Precautions
H302, H315, H319, H335
References & Citations
[1]Hsu TT, et al. 3-Hydroxybutyric acid interacts with lipid monolayers at concentrations that impair consciousness. Langmuir. 2013 Feb 12;29 (6) :1948-55.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite
Citation 01
Acta Pharm Sin B. 2025 Mar;15 (3) :1430-1446.|Biochem Biophys Res Commun. 2024 Jul 25:734:150449.|Cancer Cell. 2024 Oct 14;42 (10) :1729-1746.e8.|Cell Host Microbe. 2024 Dec 12:S1931-3128 (24) 00444-X.|Cell Metab. 2023 Jan 3;35 (1) :200-211.e9.|Cells. 2022 Sep 25;11 (19) :2987.|Free Radic Biol Med. 2025 Oct 23:241:914-932.|J Nanobiotechnology. 2022 Mar 9;20 (1) :120.|J Nutr Biochem. 2023 Aug:118:109335.|J Pathol. 2025 Oct 23.|Mol Cell. 2023 Sep 7;83 (17) :3171-3187.e7.|Nat Commun. 2025 May 7;16 (1) :4224.|Nat Metab. 2025 Jul;7 (7) :1330-1343.|Nat Protoc. 2024 May;19 (5) :1311-1347.|Pharmaceuticals (Basel) . 2025 Feb 6;18 (2) :219.|Redox Biol. 2024 May 16.|Signal Transduct Target Ther. 2024 Dec 30;9 (1) :367.|BMC Neurol. 2025 Apr 10;25 (1) :153.|Research Square Preprint. 2024 Aug 08.

Chemical Information

3-Hydroxybutyric Acid

3-hydroxybutyric acid is a straight-chain 3-hydroxy monocarboxylic acid comprising a butyric acid core with a single hydroxy substituent in the 3- position; a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans. Also used to synthesise biodegradable plastics. It has a role as a human metabolite. It is a hydroxybutyric acid, a 3-hydroxy monocarboxylic acid and an (omega-1)-hydroxy fatty acid. It is functionally related to a butyric acid. It is a conjugate acid of a 3-hydroxybutyrate.

CAS Number300-85-6
PubChem CID441
IUPAC Name3-hydroxybutanoic acid
Molecular FormulaC4H8O3
Molecular Weight104.10
XLogP-0.5
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count7
Formal Charge0
Complexity69
SMILES
CC(CC(=O)O)O
InChI
InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChIKey
WHBMMWSBFZVSSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxybutyric Acid
CAS: 300-85-6
CID: 441
Formula: C4H8O3
MW: 104.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight104.10
XLogP3-0.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass104.047344113
Monoisotopic Mass104.047344113
Topological Polar Surface Area57.5 Ų
Heavy Atom Count7
Formal Charge0
Complexity69.3
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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