(3-Methylphenyl)acetic acid

Basic Information

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CAS Number

621-36-3

Molecular Formula

C9H10O2

Molecular Weight

150.18 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

62.0 to 66.0 deg-C

Boiling Point

231.72°C (rough estimate)

Density

1.0858 (rough estimate)

Water Solubility

Soluble in water.

Flash Point

172.7 °C

Refractive Index

1.5002 (estimate)

SMILES

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CC1=CC(=CC=C1)CC(=O)O

InChI

InChI=1S/C9H10O2/c1-7-3-2-4-8(5-7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

InChIKey

GJMPSRSMBJLKKB-UHFFFAOYSA-N

LogP

1.62212

Topological Polar Surface Area

37.3 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Complexity

143

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-(m-Tolyl)acetic acid
UNII-AF4FNN5J9F
3-Methylbenzeneacetic acid
SY048780
NSC-76090
CS-0046111
2-(3-methylphenyl)acetic acid
NSC 76090
T0880
TRIETHANOLAMINEHYDROCHLORIDE
2-(m-tolyl)acetate
m-Methylphenylacetic acid
AF4FNN5J9F
NSC76090
2-m-tolyl acetic acid
Q27160204
MFCD00004340
AC-17035
EINECS 210-683-9
STR06561
J-512919
F2191-0088
3-Methylphenylacetic acid
methyll 3-methylphenylacetate
3-Tolylacetate
AKOS000154311
FT-0629020
m-Tolylacetic acid
DTXSID30211147
META-TOLYLACETIC ACID
NS00034931

MDL Number

MFCD00004340

Customs Code

2916399090

FAQ

What are the physical and chemical properties of (3-Methylphenyl)acetic acid (CAS: 621-36-3)?

(3-Methylphenyl)acetic acid is a white crystalline solid with a molecular weight of approximately 148.19 g/mol. It has a melting point around 95-97°C and is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. This compound is moderately reactive, particularly in its esterification and transesterification reactions. It is commonly used as a starting material in organic synthesis due to its reactivity and availability.

How is (3-Methylphenyl)acetic acid (CAS: 621-36-3) typically synthesized?

The synthesis of (3-Methylphenyl)acetic acid is typically achieved via the reaction of 3-methylbenzyl chloride with sodium acetate in an aqueous medium. This method provides good yield and selectivity. Other synthetic routes include the reduction of 3-methylbenzoyl chloride with sodium borohydride or the coupling of 3-methylbenzaldehyde with acetic acid. These methods are widely used due to their simplicity and efficiency.

What industries use (3-Methylphenyl)acetic acid (CAS: 621-36-3)?

(3-Methylphenyl)acetic acid is primarily used in the pharmaceutical and chemical industries as an intermediate for the synthesis of various drugs and organic compounds. It is also utilized in the polymer industry for the production of certain resins and in the sensor industry for its ability to detect certain chemical species. Additionally, it has applications in the semiconductor industry as a precursor in some manufacturing processes.

What precautions should be taken when handling (3-Methylphenyl)acetic acid (CAS: 621-36-3)?

When handling (3-Methylphenyl)acetic acid, it is important to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be stored in a well-ventilated area and handled in a fume hood to minimize exposure. In case of a spill, avoid direct contact and use appropriate spill cleanup materials. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information. Proper disposal should be conducted in compliance with local regulations.