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166898 Sigma-Aldrich

3-Hydroxybutyric acid

95%

Synonym: (±)-3-Hydroxybutanoic acid, DL-β-Hydroxybutyric acid

  • CAS Number 300-85-6

  • Linear Formula CH3CH(OH)CH2COOH

  • Molecular Weight 104.10

  •  Beilstein/REAXYS Number 773861

  •  EC Number 206-099-9

  •  MDL number MFCD00004546

  •  PubChem Substance ID 24850187

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, C1 to C5, Carbonyl Compounds, Carboxylic Acids, Chemical Synthesis,
Quality Level   100
assay   95%
refractive index   n20/D 1.443 (lit.)
bp   118-120 °C/2 mmHg (lit.)
solubility   ethanol: soluble 50 mg/mL, clear
density   1.126 g/mL at 25 °C (lit.)
storage temp.   2-8°C
SMILES string   CC(O)CC(O)=O
InChI   1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
InChI key   WHBMMWSBFZVSSR-UHFFFAOYSA-N

Description

General description

3-Hydroxybutyric acid forms films of random copolymer with (R)-3-hydroxypentanoic acid, (R)-3-hydroxyhexanoic acid, 4-hydroxybutyric acid, 6-hydroxyhexanoic acid and (S,S)-lactide by the melt-crystallized method. It is an important intermediate for the fine chemical industry.

Application

3-Hydroxybutyric acid was used in enantioselective synthesis of D-(-)-3-hydroxybutyric acid by Escherichia coli.

Packaging

1, 5 g in glass bottle

Other Notes

Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 166898.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

Safety & Documentation

Safety Information

Symbol 
GHS05  GHS05
Signal word 
Danger
Hazard statements 
RIDADR 
UN 3265 8 / PGII
WGK Germany 
3
Flash Point(F) 
233.6 °F
Flash Point(C) 
112 °C

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles

Articles

GC Analysis of 3-Hydroxybutyric Acid Methyl Ester Enantiomers on Astec® CHIRALDEX® B-DP

From our library of Articles, Sigma-Aldrich presents GC Analysis of 3-Hydroxybutyric Acid Methyl Ester Enantiomers on Astec® CHIRALDEX® B-DP
Keywords: Chromatography, Clinical, Flame ionization detector, Forensic, Gas chromatography, Purification

MSMLS Online Plate Map

Metabolite descriptors included with the software download upon purchase of the product include: Name, Parent CID, molecular formula, molecular weight, CAS, ChEBI, HMDB ID, PubChem Compound and Subst...
Keywords: Mass spectrometry, Metabolites

Peer-Reviewed Papers
15

References

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