3-(4-(Methylthio)phenyl)acrylic Acid

Basic Information

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CAS Number

102016-58-0

Molecular Formula

C10H10O2S

Molecular Weight

194.25 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

174-175°

Boiling Point

362.8°C at 760 mmHg

SMILES

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CSC1=CC=C(C=C1)C=CC(=O)O

InChI

InChI=1S/C10H10O2S/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-7H,1H3,(H,11,12)

InChIKey

AHBHKZCSIUIANZ-UHFFFAOYSA-N

LogP

2.5062999999999995

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

193

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

AKOS025310072
(2E)-3-[4-(Methylsulfanyl)phenyl]-2-propenoic acid #
Z2895087258
(E)-3-(4-methylsulfanylphenyl)prop-2-enoic acid
A896966
(E)-3-(4-(methylthio)phenyl)acrylic acid
p-[Methylthio]cinnamic acid
2-Propenoic acid, 3-[4-(methylthio)phenyl]-
C71095
CEA01658
IDI1_007721
EN300-741771
SCHEMBL5048433
EN300-05189
BCP21427
MFCD00266583
3-[4-(methylsulfanyl)phenyl]acrylic acid
3-(4-(Methylthio)phenyl)acrylic acid
HMS1408J08
3-(4-(Methylthio)phenyl)acrylicacid
1,2-DI[(CIS)-9-OCTADECENOYL]-SN-GLYCEROL-3-PHOSPHO-[1-RAC-GLYCEROL]SODIUMSALT
JS-039C
AKOS001137474
102016-58-0
(E)-3-(4-Methylsulfanylphenyl)acrylic Acid
3-(4-Methylsulfanyl-phenyl)-acrylic acid
3-[4-(methylsulfanyl)phenyl]prop-2-enoic acid
(2E)-3-[4-(methylsulfanyl)phenyl]prop-2-enoic acid
AA-768/25019001
140134-65-2
3-[4-(METHYLSULFANYL)PHENYL]ACRYLIC ACID

MDL Number

MFCD00266583

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0)?

3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0) is a white to off-white solid with a molecular weight of approximately 226.29 g/mol. It has limited water solubility (less than 1 g/L at 20°C) and moderate solubility in common organic solvents. This compound is known for its reactivity, particularly towards nucleophilic substitution and condensation reactions. It is usually stable under normal conditions but may decompose upon prolonged exposure to heat or strong bases.

How is 3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0) typically synthesized?

3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0) is synthesized through a multi-step process involving the condensation of 4-(methylthio)benzaldehyde with acryloyl chloride, followed by acid hydrolysis to form the carboxylic acid. The reaction typically uses a catalyst such as 4-(dimethylamino)pyridine (DMAP) and proceeds under mild conditions. The overall yield is around 70-80%, with good selectivity towards the desired product.

What industries use 3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0)?

3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0) finds applications in various industries. It is used in the pharmaceutical sector for the synthesis of certain drug intermediates. In the polymer industry, it serves as a monomer for the preparation of functional polymers. Additionally, it is utilized in the development of sensors for detecting specific chemicals and in materials science for improving the properties of semiconductors and conductive polymers.

What precautions should be taken when handling 3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0)?

When handling 3-(4-(Methylthio)phenyl)acrylic Acid (CAS: 102016-58-0), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Storage should be in a cool, dry place away from heat sources and incompatible materials. In case of a spill, it should be carefully cleaned up using an appropriate absorbent material. For detailed safety information, always refer to the Safety Data Sheet (SDS) and follow local regulations and guidelines.