CAS 300-85-6 (+/-)-3-Hydroxybutyric Acid - Materials / Alfa Chemistry

NAVIGATION

(+/-)-3-Hydroxybutyric Acid

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Catalog Number

ACM300856-2

CAS Number

300-85-6

Product Name

(+/-)-3-Hydroxybutyric Acid

Structure

Category

Polymers

Description

Solid

IUPAC Name

3-hydroxybutanoic acid

Molecular Weight

104.1g/mol

Molecular Formula

C4H8O3

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

Melting Point

46°C

Solubility

444 mg/mL

Application

(+/-)-3-Hydroxybutyric Acid serves multiple purposes across various fields. In biochemical applications, it is utilized for the enantioselective synthesis of D-(-)-3-hydroxybutyric acid by *Escherichia coli*. As a significant human metabolite, it acts as a vital energy source for the brain during fasting by elevating ketone body levels, a mechanism often observed during ketosis. Moreover, this compound is instrumental in creating biodegradable plastics, specifically through the synthesis of polyhydroxybutyrate, highlighting its environmental utility. Additionally, it functions as one of the primary endogenous agonists for the hydroxycarboxylic acid receptor 2 (HCA2), a G protein-coupled receptor, underscoring its intricate role in human physiology.

Complexity

69.3

Covalently-Bonded Unit Count

EC Number

206-099-9;210-908-0

Exact Mass

104.047344g/mol

Formal Charge

Heavy Atom Count

MeSH Entry Terms

(+ -)-3-Hydroxybutyric Acid;3 Hydroxybutyrate;3 Hydroxybutyric Acid;3-Hydroxybutyrate;3-Hydroxybutyric Acid;beta Hydroxybutyrate;beta Hydroxybutyric Acid;beta-Hydroxybutyrate;beta-Hydroxybutyric Acid

Monoisotopic Mass

104.047344g/mol

NSC Number

3806

Rotatable Bond Count

XLogP3

-0.5

MSDS

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COA

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Spec Sheet