4-(4-Chloro-2-methylphenoxy)butanoic acid

Basic Information

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CAS Number

94-81-5

Molecular Formula

C11H13ClO3

Molecular Weight

228.67 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

101-102 ºC (ligroine )

Boiling Point

327.31°C (rough estimate)

Density

1.230±0.06 g/cm3 (20 ºC 760 Torr),

Flash Point

191.5°C

Refractive Index

1.4530 (estimate)

SMILES

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Cc1cc(ccc1OCCCC(=O)O)Cl

InChI

InChI=1S/C11H13ClO3/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)

InChIKey

LLWADFLAOKUBDR-UHFFFAOYSA-N

LogP

2.8920200000000005

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

208

Safety Information

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GHS Hazard Pictograms

H410

Hazard Statement

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

Butanoic acid,4-(4-chloro-2-methylphenoxy)-
MCPB
4-(4-Chloro-2-methylphenoxy)butanoic acid
4-(4-CHLORO-2-METHYLPHENOXY)-BUTYRIC ACID
MCPB - acid
MCPB Solution
2M-4CM
4-(4-chloro-o-tolyloxy)butyric acid
Bexone
Legumex
MCPB100µg
MCP-butyric
Thitrol
Trifolex
Trotox
4MCPB
CMPB
NSC 102796
U46 MCPB
gamma-MCPB
4-(4-Chloro-2-methylphenoxy)butanoic acid (ACI)
Butyric acid, 4-[(4-chloro-o-tolyl)oxy]- (8CI)
(4-Chloro-o-tolyloxy)butyric acid
2,4-MCPB
2-Methyl-4-chlorophenoxy-γ-butyrate
2-Methyl-4-chlorophenoxy-γ-butyric acid
2-Methyl-4-chlorophenoxybutyric acid
2M4KhM
4-(2-Methyl-4-chlorophenoxy)butyric acid
4-(4-Chloro-2-methylphenoxy)butyric acid
4-(4-Chlroro-2-methylphenoxy)butanoic acid

MDL Number

MFCD00002820

Customs Code

2918990023

FAQ

What regulatory guidelines apply to 4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5)?

4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5) is subject to various regulatory guidelines. It falls under the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for classification as a toxic substance. In the EU, it is regulated under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals). Additionally, it is subject to FDA and EPA regulations in the United States, including reporting requirements and safety data sheets (SDS).

Are there alternatives to 4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5) in synthesis?

There are alternatives to 4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5) in synthesis. Common alternatives include 4-(4-Chloro-2-methylphenoxy)butan-1-ol and 4-(4-Chloro-2-methylphenoxy)butanoyl chloride. These alternatives can be used as precursors or as the final product, depending on the specific application.

What is the market or research trend for 4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5)?

The market for 4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5) is driven by its applications in pharmaceuticals and agrochemicals. Recent research trends focus on the development of new derivatives and improved synthesis methods. The market is expected to grow due to increasing demand for active pharmaceutical ingredients (APIs) and crop protection chemicals.

How should waste containing 4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5) be handled?

Waste containing 4-(4-Chloro-2-methylphenoxy)butanoic acid (CAS: 94-81-5) should be managed according to hazardous waste disposal regulations. Collection and transfer should be done in sealed containers, and disposal should be handled by a licensed waste management company. Environmental protection measures include proper storage, avoidance of direct contact with water bodies, and adherence to local disposal guidelines. Incineration is also a common method for safe disposal of this waste.