3-Phenylacrylic acid

Basic Information

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CAS Number

9045-22-1

Molecular Formula

C9H8O2

Molecular Weight

148.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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COC1C(C(C(OC1C(=O)O)OC2C(OC(C(C2O)NS(=O)(=O)O)OC)COS(=O)(=O)O)OS(=O)(=O)O)O

InChI

InChI=1S/C9H8O2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7H,(H,10,11)

InChIKey

WBYWAXJHAXSJNI-UHFFFAOYSA-N

LogP

1.7844

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

1120

Synonyms & References

English

BCP32136
SCHEMBL14960713
4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfoamino)-2-(sulfooxymethyl)oxan-3-yl]oxy-3-methoxy-5-sulfooxyoxane-2-carboxylic acid
FT-0660597
9045-22-1
Heparin lithium salt
Heparin lithium salt from porcine intestinal mucosa
heparin lithium from porcine*intestinal mucosa
Heparin, Lithium Salt, PorcineIntestinal Mucosa
Heparin lithium
~200 units
mg]
Calcium balanced heparin lithium
Heparin Lithium salt

MDL Number

MFCD00131308

Customs Code

29319090

FAQ

What are the physical and chemical properties of 3-Phenylacrylic acid (CAS: 9045-22-1)?

3-Phenylacrylic acid (CAS: 9045-22-1) is a crystalline solid with a molecular weight of approximately 142.17 g/mol. It is slightly soluble in water but soluble in most organic solvents. Chemically, it is relatively stable but can react with strong bases to form salts. It has a pKa of about 2.9, indicating acidic behavior.

How is 3-Phenylacrylic acid (CAS: 9045-22-1) typically synthesized?

3-Phenylacrylic acid is typically synthesized via the Wittig reaction, where phenyl methyl ketone reacts with phosphorus ylide. Another method involves the condensation of benzaldehyde with acrylic acid, followed by hydrolysis. This process yields a pure product with high selectivity and good yield under appropriate conditions.

What industries use 3-Phenylacrylic acid (CAS: 9045-22-1)?

3-Phenylacrylic acid (CAS: 9045-22-1) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, in polymer production for modifying properties, in the development of sensors for chemical detection, and in semiconductors for specific applications. Its versatility makes it a valuable intermediate in organic synthesis.

What precautions should be taken when handling 3-Phenylacrylic acid (CAS: 9045-22-1)?

When handling 3-Phenylacrylic acid (CAS: 9045-22-1), it is essential to wear appropriate personal protective equipment (PPE), including gloves and eye protection. It should be stored in a sealed container and away from strong bases. In case of spillage, use a fume hood for safety. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.