CAS 300-85-6 DL-3-Hydroxybutyric Acid, (contains Polymolecular esterification product)

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DL-3-Hydroxybutyric Acid, (contains Polymolecular esterification product)

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Catalog Number

ACM300856-1

CAS Number

300-85-6

Product Name

DL-3-Hydroxybutyric Acid, (contains Polymolecular esterification product)

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

DL-3-Hydroxybutyric Acid, which appears as a clear, colorless to light yellow viscous liquid, serves multiple industrial purposes. Primarily, it is utilized in the production of biodegradable plastics. Additionally, it functions as a solvent in various applications such as organoleptics and cosmetics. Furthermore, it plays a crucial role in the enantioselective synthesis of D-(-)-3-hydroxybutyric acid using Escherichia coli. As a straight-chain 3-hydroxy monocarboxylic acid, it consists of a butyric acid core with a hydroxy substituent at the 3-position. In humans, its levels increase during ketosis, providing an alternative energy source for the brain during fasting. The compound is a human metabolite and has significance as a ketone body related to butyric acid, functioning as a conjugate acid of 3-hydroxybutyrate.

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

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