ChemicalBook--->CAS DataBase List--->6168-83-8

6168-83-8

6168-83-8 Structure

6168-83-8 Structure
IdentificationBack Directory
[Name]

(S)-3-HYDROXYBUTYRIC ACID
[CAS]

6168-83-8
[Synonyms]

(S)-3-Hydroxybutyrate
L-3-Hydroxybutyric acid
(S)-3-HYDROXYBUTYRIC ACID
(3S)-3-hydroxybutyric acid
(S)-3-Hydroxybutanoic acid
(S)-β-Hydroxybutanoic acid
(3S)-3-hydroxybutanoic acid
(S)-(+)-3-HYDROXYBUTYRIC ACID
[S,(+)]-3-Hydroxybutanoic acid
Butanoic acid, 3-hydroxy-, (3S)-
[EINECS(EC#)]

228-209-4
[Molecular Formula]

C4H8O3
[MDL Number]

MFCD00137685
[MOL File]

6168-83-8.mol
[Molecular Weight]

104.1
Chemical PropertiesBack Directory
[Melting point ]

45-48 °C
[alpha ]

25 º (C=6% IN H2O)
[Boiling point ]

269.2±0.0 °C(Predicted)
[density ]

1.195±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[form ]

solid
[pka]

4.36±0.10(Predicted)
[color ]

White
[Optical Rotation]

[α]20/D +25±1°, c = 6% in H2O
[Water Solubility ]

Water : 50 mg/mL (480.31 mM)
[BRN ]

1720567
[InChI]

InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)/t3-/m0/s1
[InChIKey]

WHBMMWSBFZVSSR-VKHMYHEASA-N
[SMILES]

C(O)(=O)C[C@@H](O)C
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[F ]

3-10
Hazard InformationBack Directory
[Uses]

(S)-3-Hydroxybutanoic acid is a metabolite and a disease marker of depression. 3-Hydroxybutyric acid is synthesized in the liver from acetyl-CoA, and can be used as an energy source by the brain when blood glucose is low.
[Definition]

ChEBI: The S-enantiomer of 3-hydroxybutyric acid; a normal human metabolite, that has been found elevated in geriatric patients remitting from depression.
[IC 50]

Human Endogenous Metabolite
[storage]

Store at -20°C
[References]

[1] Khouri H, et al., Acetoacetate and d- and l-β-hydroxybutyrate have distinct effects on basal and insulin-stimulated glucose uptake in L6 skeletal muscle cells. Am J Physiol Cell Physiol. 2024 Jun 1;326(6):C1710-C1720. DOI:10.1152/ajpcell.00718.2023
Spectrum DetailBack Directory
[Spectrum Detail]

(S)-3-HYDROXYBUTYRIC ACID(6168-83-8)1HNMR
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