m-Toluic Acid - Materials / Alfa Chemistry

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m-Toluic Acid

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Catalog Number

ACMA00017030

Product Name

m-Toluic Acid

Category

Polymers

Description

M-toluic acid appears as white to yellowish crystals or mostly yellow flaky solid (with some white flakes). Has a floral-honey odor. (NTP, 1992);DryPowder; PelletsLargeCrystals

IUPAC Name

3-methylbenzoic acid

Molecular Weight

136.15g/mol

Molecular Formula

C8H8O2

Canonical SMILES

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

InChI

InChI=1S/C8H8O2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3,(H,9,10)

InChI Key

GPSDUZXPYCFOSQ-UHFFFAOYSA-N

Boiling Point

504 °F at 760 mm Hg (sublimes) (NTP, 1992)

Melting Point

232 to 235 °F (NTP, 1992);108.7 °C

Density

1.054 at 234 °F (NTP, 1992)

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);0.01 M

Application

M-Toluic acid, also known as 3-Methylbenzoic acid or m-Toluate, is an organic compound characterized by its white to yellowish crystalline form and floral honey odor. As a derivative of benzoic acid, m-Toluic acid plays a crucial role in organic synthesis, primarily serving as a chemical intermediate. It is slightly soluble in water but dissolves readily in alcohol and ether, and is known for its combustibility. One of its significant applications is in the synthesis of N,N-diethyl-m-toluamide, a key ingredient in DEET, a widely used insect repellent that offers protection against mosquitoes and other biting insects. Furthermore, m-Toluic acid is utilized in the production of various other chemicals, including 3-carboxybenzaldehyde and 3-methylbenzophenone. Additionally, it serves as a plastic stabilizer within the chemical industry. As a methylbenzoic acid carrying a methyl substituent at position 3, it functions as a human xenobiotic metabolite and is a conjugate acid of m-toluate, offering valuable properties in producing bacteriostatic and fragrant benzoic acid derivatives.

Complexity

131

Covalently-Bonded Unit Count

EC Number

202-723-9

Exact Mass

136.052429g/mol

Formal Charge

Heavy Atom Count

Log P

2.37 (LogP)

MeSH Entry Terms