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o-Toluic acid CAS 118-90-1

2-Methylbenzoic acid (CAS 118-90-1, also known as o-methylbenzoic acid) is an organic synthetic intermediate with the molecular formula C₈H₈O₂; it appears as a white to pale yellow crystalline solid. This compound is primarily used in the pesticide industry (for the synthesis of herbicides such as benfluralin) and in the chemical industry (as a fungicide and raw material for organic synthesis). Industrially, it is commonly produced via the catalytic oxidation of o-xylene. It is important to note that this substance is harmful if swallowed and is irritating to the eyes and skin; inhalation of dust should be avoided during handling.


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Model:
118-90-1
Brand:
bosschemical
Code:
118-90-1

Product Description

o-Toluic acid Basic information
Product Name:	o-Toluic acid
CAS:	118-90-1
MF:	C8H8O2
MW:	136.15
EINECS:	204-284-9
Mol File:	118-90-1.mol
o-Toluic acid Chemical Properties
Melting point	102-104 °C (lit.)
Boiling point	258-259 °C (lit.)
density	1.062 g/mL at 25 °C (lit.)
refractive index	1.512
Fp	148 °C
storage temp.	Sealed in dry,Room Temperature
solubility	1.2g/l
pka	3.91(at 25℃)
form	Needle-Like Crystalline Solid
color	White to slightly yellow
Specific Gravity	1.062
PH	3.1 (H2O, 20℃)(saturated aqueous solution)
Water Solubility	<0.1 g/100 mL at 19 ºC
Merck	149,535
BRN	1072103
Henry's Law Constant	9.7×100 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
Stability:	Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
InChI	1S/C8H8O2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey	ZWLPBLYKEWSWPD-UHFFFAOYSA-N
SMILES	Cc1ccccc1C(O)=O
CAS DataBase Reference	118-90-1(CAS DataBase Reference)
NIST Chemistry Reference	Benzoic acid, 2-methyl-(118-90-1)
EPA Substance Registry System	o-Toluic acid (118-90-1)