2-[(Acetylthio)methyl]-3-phenylpropionic Acid

Basic Information

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CAS Number

91702-98-6

Molecular Formula

C12H14O3S

Molecular Weight

238.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Boiling Point

381.9±35.0 °C at 760 mmHg

Density

1.2±0.1 g/cm3

Flash Point

184.7±25.9 °C

Refractive Index

1.574

Vapor Pressure

0.0±0.9 mmHg at 25°C

SMILES

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CC(=O)SCC(CC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C12H14O3S/c1-9(13)16-8-11(12(14)15)7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)

InChIKey

BCAAXVOKLXDSPD-UHFFFAOYSA-N

LogP

2.2095999999999996

Topological Polar Surface Area

54.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

247

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Synonyms & References

English

2-[(Acetylthio)methyl]-3-phenylpropionic acide
2-[(Acetylthio)methyl]-phenylpropionic acid
2-[(ACETYLETHIO)METHYL]PHENYLPROPIONIC ACID
2-(Acetylthiomethyl)-3-phenylpropionic Acid
2-[(Acetylsulfanyl)methyl]-3-phenylpropionic Acid
a-[(Acetylthio)methyl]benzenepropanoic Acid
3-(Acetylthio)-2-benzylpropionic Acid
2-[(Acetylthio) Methyl] Phenylpropionic Acid
2-[(Acetylthio)methyl]-3-phenylpropionic Acid
2-[(Acetylthio)methyl]-3-phenylpropanoic acid
2-[(acetylthio)methyl]Benzenepropanoic acid
2-(Acetylthiomethyl)-3-phenylpropionicacid
3-(Acetylthio)-2-benzylpropionicacid
3-ACETYLTHIO-2-BENZYLPROPANIC ACID
3-(acetylsulfanyl)-2-benzylpropanoic acid
AK208993
(RS)-2-Acetylsulfanylmethyl-3-phenyl-propionic acid
2-[(Acetylthio)methyl]-phenylpropionicacid
BCAAXVOKLXDSPD-UHFFFAOYSA-N
3-acetylthio2-benzylpropionic acid
STR09833
3-acetylthio-2-benzylpropi
α-[(Acetylthio)methyl]benzenepropanoic acid (ACI)
2-(Acetylsulfanylmethyl)-3-phenylpropanoic acid
2-(Acetylthiomethyl)-3-phenylpropionic acid
2-[(Acetylsulfanyl)methyl]-3-phenylpropionic acid
3-(Acetylthio)-2-benzylpropionic acid
CS-0154990
2-(acetylthiomethyl)-3-phenylpropionic acid
2-[(Acetylthio)methyl]-3-phenylpropionicAcid
2-(acetylsulfanylmethyl)-3-phenylpropanoic acid

MDL Number

MFCD00236751

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 2-[(Acetylthio)methyl]-3-phenylpropionic Acid (CAS: 91702-98-6)?

This compound must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for hazardous materials. In the European Union, it falls under the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulation. Additionally, the U.S. Food and Drug Administration (FDA) and Environmental Protection Agency (EPA) have specific requirements for its handling and disposal. Ensure all containers are clearly labeled and stored according to relevant safety data sheets (SDS).

Are there alternatives to 2-[(Acetylthio)methyl]-3-phenylpropionic Acid (CAS: 91702-98-6) in synthesis?

Several alternatives can be considered, such as acetylthioacetic acid or phenylpropionic acid. Isomers like 2-(acetylthio)ethyl-3-phenylpropionic acid may also be used. Common alternative reagents include acetyl thioacetate or thioacetic acid. Always evaluate the chemical properties and compatibility of these alternatives before synthesis.

What is the market or research trend for 2-[(Acetylthio)methyl]-3-phenylpropionic Acid (CAS: 91702-98-6)?

Research on this compound is growing in areas such as drug development and pharmaceutical applications. Market trends indicate increasing demand for novel compounds with specific biological activities. Emerging studies focus on its potential as a pharmacological agent, particularly in the treatment of certain diseases. Stay updated with the latest peer-reviewed articles and patents for detailed market insights.

How should waste containing 2-[(Acetylthio)methyl]-3-phenylpropionic Acid (CAS: 91702-98-6) be handled?

Waste containing this compound should be collected in a sealed container and stored in a secure location. Dispose of it through a professional waste disposal service that adheres to local and international environmental regulations. Implement proper incineration or chemical neutralization methods to prevent environmental contamination. Always follow strict safety protocols and consult the latest safety data sheet (SDS) for detailed handling instructions.