3-Hydroxybutyric acid

• CAS: 300-85-6
• Catalog Number: ACM300856
• Category: Other Products
• Molecular Weight: 104.1
• Molecular Formula: C4H8O3
• Synonyms: Beta-hydroxybutyrate
• IUPAC Name: 3-Hydroxybutanoic acid
• Canonical SMILES: CC(CC(=O)O)O
• InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
• InChI Key: WHBMMWSBFZVSSR-UHFFFAOYSA-N
• Boiling Point: 118-120 °C/2 mmHg(lit.)
• Melting Point: 174-175 °C
• Flash Point: >230 °F
• Density: 1.126 g/mL at 25 °C(lit.)
• Solubility: Soluble in water, alcohol, ether
• Appearance: Colorless liquid
• Storage: Inert atmosphere, 2-8 °C
• Complexity: 69.3
• Exact Mass: 104.047344113
• Hazard Statements: Xi
• Monoisotopic Mass: 104.047344113
• Refractive Index: n20/D 1.443(lit.)
• Safety Description: 26-36
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• Topological Polar Surface Area: 57.5 Ų

Custom Q&A

What is the molecular formula of 3-Hydroxybutyric acid?

The molecular formula of 3-Hydroxybutyric acid is C4H8O3.

What are some synonyms for 3-Hydroxybutyric acid?

Some synonyms for 3-Hydroxybutyric acid include 3-hydroxybutanoic acid and Butanoic acid, 3-hydroxy.

What is the molecular weight of 3-Hydroxybutyric acid?

The molecular weight of 3-Hydroxybutyric acid is 104.10 g/mol.

How is 3-Hydroxybutyric acid related to ketosis?

3-Hydroxybutyric acid is a ketone body whose levels are raised during ketosis, used as an energy source by the brain during fasting in humans.

Which organisms produce or contain 3-Hydroxybutyric acid?

3-Hydroxybutyric acid is a metabolite found in or produced by Escherichia coli, Vitis rotundifolia, and Cupriavidus necator.

What is the IUPAC name of 3-Hydroxybutyric acid?

The IUPAC name of 3-Hydroxybutyric acid is 3-hydroxybutanoic acid.

What is the InChIKey of 3-Hydroxybutyric acid?

The InChIKey of 3-Hydroxybutyric acid is WHBMMWSBFZVSSR-UHFFFAOYSA-N.

What is the XLogP3-AA value of 3-Hydroxybutyric acid?

The XLogP3-AA value of 3-Hydroxybutyric acid is -0.5.

How many hydrogen bond donor count does 3-Hydroxybutyric acid have?

3-Hydroxybutyric acid has 2 hydrogen bond donor counts.

What is the UNII of 3-Hydroxybutyric acid?

The UNII of 3-Hydroxybutyric acid is TZP1275679.

Synthetic Use

Upstream Synthesis Route 1

• 110-86-1
• 60-29-7
• 141-82-2
• 75-07-0

• 3724-65-0
• 300-85-6

Reference: [1]Justus Liebigs Annalen der Chemie,1923,vol. 432,p. 65

Upstream Synthesis Route 2

• 3068-88-0

• 300-85-6

Reference: [1]Chemische Berichte,1915,vol. 48,p. 1264
Chemisches Zentralblatt,1916,vol. 87,p. 557
[2]Chemische Berichte,1915,vol. 48,p. 1264
Chemisches Zentralblatt,1916,vol. 87,p. 557
[3]Journal of Organic Chemistry,2005,vol. 70,p. 420 - 426
[4]Journal of Solution Chemistry,2008,vol. 37,p. 451 - 457

Downstream Synthesis Route 1

• 156-43-4
• 300-85-6

• 1083-57-4

Reference: [1] Organic Letters, 2018, vol. 20, # 23, p. 7371 - 7374

* For details of the synthesis route, please refer to the original source to ensure accuracy.