(3S)-3-Hydroxybutanoic acid

Basic Information

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CAS Number

6168-83-8

Molecular Formula

C4H8O3

Molecular Weight

104.1 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

45-50 ºC

Specific Rotation

25 º (c=6% in H2O)

SMILES

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CC(CC(=O)O)O

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

LogP

-0.15809999999999996

Topological Polar Surface Area

57.53 Å²

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

69.3

Synonyms & References

English

CS-0031375
(S)-3-hydroxy-2-methyl-Propanoate
C03197
(S)-3HB
(S)-3-Hydroxybutyric acid
(3S)-3-hydroxy-Butanoate
VK6OM9M3WP
beta-L-hydroxybutyric acid
(+)-3-hydroxy-n-butyric acid
HMS2231P22
GTPL4699
SMR000857204
MLS001333230
A868649
L-beta-Hydroxybutyrate
3-Hydroxybutanoic acid, (S)-
CHEMBL1162497
6168-83-8
L-b-Hydroxybutyric acid
(S)-b-Hydroxyisobutyric acid
MLS001333229
L-(+)-b-Hydroxyisobutyric acid
(S)-3-Hydroxybutyric acid, >=97.0%
(S)-(+)-.BETA.-HYDROXYBUTYRIC ACID
HY-W050031
(S)-3-hydroxy-Butanoic acid
(S)-b-Hydroxyisobutyrate
L-(+)-3-Hydroxybutyric acid
(S)-3-Hydroxybutanoate
L-(+)-b-Hydroxyisobutyrate
(S)-3-HYDROXY-2-METHYL-PROPANOIC ACID

MDL Number

MFCD00137685

FAQ

What regulatory guidelines apply to (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8)?

The (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8) is classified under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) as a skin irritant. It is also subject to the European Union's Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations, which require detailed safety data sheets and potential restrictions on its use. Additionally, the food and drug administration (FDA) and environmental protection agency (EPA) may have specific labeling and handling requirements depending on its intended use.

Are there alternatives to (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8) in synthesis?

In the synthesis of (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8), common alternatives include (3R)-3-hydroxybutanoic acid and its racemic mixture. Other substitutes involve the use of different precursors or reagents, such as (R)- and (S)-glyceraldehyde, which can be used to synthesize the corresponding (3R)- and (3S)-isomers through racemization and resolution techniques.

What is the market or research trend for (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8)?

The market for (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8) is growing due to its use as a precursor in pharmaceuticals, flavor and fragrance industries, and as a component in skin care products. Research trends focus on developing cost-effective and sustainable synthesis methods, exploring its potential in drug discovery, and understanding its biological activities, such as its role as a metabolic intermediate and potential therapeutic applications.

How should waste containing (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8) be handled?

Waste containing (3S)-3-Hydroxybutanoic acid (CAS: 6168-83-8) should be collected in appropriate containers, labeled as hazardous, and stored in a well-ventilated area. For disposal, it is recommended to consult a licensed waste management company for incineration or other professional waste disposal methods. Environmental protection precautions include proper containment to prevent leaks and spills, and adherence to local and regional hazardous waste management regulations.