3-Methoxycinnamic acid

Basic Information

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CAS Number

6099-04-3

Molecular Formula

C10H10O3

Molecular Weight

178.18 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

Basic Physical Properties

Melting Point

117.0 to 120.0 deg-C

Boiling Point

250.41°C (rough estimate)

Density

1.1479 (rough estimate)

Refractive Index

1.5088 (estimate)

SMILES

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COc1cccc(c1)C=CC(=O)O

InChI

InChI=1S/C10H10O3/c1-13-9-4-2-3-8(7-9)5-6-10(11)12/h2-7H,1H3,(H,11,12)

InChIKey

LZPNXAULYJPXEH-UHFFFAOYSA-N

LogP

1.7929999999999997

Topological Polar Surface Area

46.53 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

198

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

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

Synonyms & References

English

3-(3-Methoxyphenyl)acrylic acid
META-METHOXY CINNAMMIC ACID
(2E)-3-(3-METHOXYPHENYL)ACRYLIC ACID
AKOS B004084
RARECHEM BK HC T256
O-METHYL-M-COUMARIC ACID
O-METHYL-M-CUMARIC ACID
TRANS-3-METHOXYCINNAMIC ACID
m-Methoxycinnamic acid
trans-3-(3-methoxyphenyl)acrylic acid
3-Methoxycinnamic acid
2-Propenoic acid, 3-(3-methoxyphenyl)-
Cinnamic acid, m-methoxy-
Propenoic acid, 3-(3-methoxyphenyl)-, trans-
trans-m-methoxycinnamic acid
O-Methyl-m-coumaric Acid
trans-3-(3-Methoxyphenyl)acrylic acid

MDL Number

MFCD00004386

FAQ

What are the physical and chemical properties of 3-Methoxycinnamic acid (CAS: 6099-04-3)?

3-Methoxycinnamic acid is a crystalline solid with a molecular weight of approximately 174.19 g/mol. It has a pKa of around 3.2 and is slightly soluble in water. The compound is reactive, particularly under acidic conditions, and can undergo esterification reactions.

How is 3-Methoxycinnamic acid (CAS: 6099-04-3) typically synthesized?

3-Methoxycinnamic acid is commonly synthesized through a condensation reaction of cinnamic acid and methyl alcohol using a catalytic amount of sulfuric acid. The process yields a high selectivity and good overall yield, typically around 85-90%.

What industries use 3-Methoxycinnamic acid (CAS: 6099-04-3)?

3-Methoxycinnamic acid finds applications in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry as a monomer or modifier, and in the sensing industry for the development of chemical sensors and semiconductors.

What precautions should be taken when handling 3-Methoxycinnamic acid (CAS: 6099-04-3)?

When handling 3-Methoxycinnamic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or a fume hood. Spills should be cleaned up using appropriate procedures and the safety data sheet (SDS) should be consulted for detailed instructions.