CAS 99-94-5 P-Toluic Acid - Materials / Alfa Chemistry

NAVIGATION

P-Toluic Acid

PRICE INQUIRY

Catalog Number

ACM99945

CAS Number

99-94-5

Product Name

P-Toluic Acid

Structure

Category

Liquid Crystal (LC) Building Blocks

Synonyms

4-Methylbenzoic Acid

Description

p-Toluic acid (4-methylbenzoic acid) is a substituted benzoic acid with the formula CH3C6H4COOH. It is an intermediate in some industrial processes for the oxidation of p-xylene to terephthalic acid which is used in the manufacture of polyethylene terephthalate. It is a white crystalline solid that is practically insoluble in water, but soluble in acetone.

IUPAC Name

4-methylbenzoic acid

Molecular Weight

136.15

Molecular Formula

C8H8O2

Canonical SMILES

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

InChI

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

InChI Key

LPNBBFKOUUSUDB-UHFFFAOYSA-N

Boiling Point

525 to 527 °F at 760 mm Hg (NTP, 1992)

Melting Point

179-182ºC

Flash Point

124.7ºC

Purity

99%

Density

1.06

Solubility

less than 1 mg/mL at 66° F (NTP, 1992);0.00 M;0.34 mg/mL at 25 °C

Appearance

Colourless crystals or white crystalline powder

Complexity

123

Covalently-Bonded Unit Count

EC Number

202-803-3

Exact Mass

136.052429g/mol

Formal Charge

Heavy Atom Count

Log P

1.69320

MDL Number

MFCD00002565

MeSH Entry Terms

4-methylbenzoate;4-toluic acid;4-toluic acid, barium salt;4-toluic acid, cadmium salt;4-toluic acid, calcium salt;4-toluic acid, potassium salt;4-toluic acid, zinc salt;p-methylbenzoate;p-toluenecarboxylate;p-toluic acid

Monoisotopic Mass

136.052429g/mol

NSC Number

2215

Refractive Index

1.5086 (20ºC)

Rotatable Bond Count

Stability

Stable. Incompatible with strong oxidizing agents, strong bases.

Storage Conditions

Store at RT.

UNII