Methyl (3S)-4-chloro-3-hydroxybutanoate

Basic Information

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CAS Number

86728-93-0

Molecular Formula

C5H9ClO3

Molecular Weight

152.58 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

SMILES

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COC(=O)CC(CCl)O

InChI

InChI=1S/C5H9ClO3/c1-9-5(8)2-4(7)3-6/h4,7H,2-3H2,1H3/t4-/m0/s1

InChIKey

WMRINGSAVOPXTE-BYPYZUCNSA-N

LogP

0.14919999999999994

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

94.2

Synonyms & References

English

A19567
4-Chloro-3-hydroxy-butyric acid methyl ester
(S)-methyl4-chloro-3-hydroxybutanoate
Methyl (S)-4-chloro-3-hydroxybutyrate
86728-93-0
AKOS006277976
methyl (s)-4-chloro-3-hydroxybutanoate
BS-24144
(S)-methyl 4-chloro-3-hydroxybutanoate
WMRINGSAVOPXTE-BYPYZUCNSA-N
(s)-4-chloro-3-hydroxybutanoic acid methyl ester
SCHEMBL1405741
CS-0456671
(S)-Methyl 4-cloro-3-hydroxybutyrate
(S)-METHYL-4-CLORO-3-HYDROXYBUTYRATE
DTXSID60363764
(S)-methyl-4-chloro-3-hydroxybutyrate
methyl (3S)-4-chloro-3-hydroxybutanoate
METHYL (S)-4-CHLORO-3-HYDROXYBUTYRATE
(S)-METHYL 4-CHLORO-3-HYDROXYBUTYRATE
(S)-Methyl-4-cloro-3-hydroxybutyrate
Butanoic acid, 4-chloro-3-hydroxy-, Methyl ester, (3S)-
(S)-METHYL-4-CHLORO-3-HYDROXYBUTYRATE

MDL Number

MFCD01862166

FAQ

What regulatory guidelines apply to Methyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-93-0)?

Methyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-93-0) is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous properties, and falls under the European Union's Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulation. In the USA, it is subject to the Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) requirements for handling and disposal.

Are there alternatives to Methyl (3S)-4-chloro-3-hydroxybutanoate in synthesis?

There are several alternatives to Methyl (3S)-4-chloro-3-hydroxybutanoate, such as isomers like Methyl (3R)-4-chloro-3-hydroxybutanoate, or using other chlorinated butanoic acid derivatives. Other synthetic routes might involve using different reagents or intermediates to achieve similar functional groups without the 3S configuration.

What is the market or research trend for Methyl (3S)-4-chloro-3-hydroxybutanoate?

The market for Methyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-93-0) reflects growing interest in specialty chemical applications, particularly in flavors and fragrances, pharmaceuticals, and as a pesticide intermediate. Research trends indicate increasing focus on sustainable synthesis methods and biodegradable alternatives to traditional chlorinated compounds.

How should waste containing Methyl (3S)-4-chloro-3-hydroxybutanoate be handled?

Waste containing Methyl (3S)-4-chloro-3-hydroxybutanoate (CAS: 86728-93-0) should be collected in sealed, leak-proof containers and disposed of through a licensed hazardous waste management facility. Proper incineration or chemical degradation methods are preferred, with strict adherence to environmental protection protocols to minimize contamination and ensure worker safety.