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118-90-1

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Identification

Name
o-Toluic acid
CAS
118-90-1
Synonyms
2-METHYLBENZOIC ACID
2-TOLUIC ACID
AKOS BBS-00003722
METHYLBENZOIC(O-) ACID
o-Methylbenzoate
O-METHYLBENZOIC ACID
ORTHO-TOLUIC ACID
O-TOLUIC ACID
O-TOLUYLIC ACID
RARECHEM AL BO 0033
2-methyl-benzoicaci
Benzoicacid,2-methyl-
o-toluic
2-Methylbenzoic Acid/o-Toluic acid
o-Totuic acid
O-ToluicAcidForSynthesis
2-ToluicAcid98+%
o-Toluic acid, 98+%
ORTHO-TOLUIC ACID FOR SYNTHESIS
o-Toluic acid118-90-1
EINECS(EC#)
204-284-9
Molecular Formula
C8H8O2
MDL Number
MFCD00002477
Molecular Weight
136.15
MOL File
118-90-1.mol

Chemical Properties

Appearance
White crystals. Slightly soluble in water; soluble in alcohol and chloroform. Combustible.
Appearance
yellow crystals
Melting point 
102-104 °C (lit.)
mp 
103 °C
Boiling point 
258-259 °C (lit.)
bp 
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
form 
Needle-Like Crystalline Solid
pka
3.91(at 25℃)
Specific Gravity
1.062
color 
White to slightly yellow
Stability:
Stable. Combustible. Incompatible with strong oxidizing agents, strong bases.
PH
3.1 (H2O, 20℃)(saturated aqueous solution)
Water Solubility 
<0.1 g/100 mL at 19 ºC
Merck 
14,9535
BRN 
1072103
InChIKey
ZWLPBLYKEWSWPD-UHFFFAOYSA-N
Uses
Bacteriostat.
CAS DataBase Reference
118-90-1(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 2-methyl-(118-90-1)
EPA Substance Registry System
118-90-1(EPA Substance)

Safety Data

Hazard Codes 
Xi,Xn
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S22:Do not breathe dust .
WGK Germany 
3

RTECS 
XU1400000

TSCA 
Yes
HS Code 
29163900

Raw materials And Preparation Products

Hazard Information

General Description
Pale yellow crystals or off-white flaky solid.
Reactivity Profile
O-TOLUIC ACID(118-90-1) is a carboxylic acid. Carboxylic acids donate hydrogen ions if a base is present to accept them. They react in this way with all bases, both organic (for example, the amines) and inorganic. Their reactions with bases, called "neutralizations", are accompanied by the evolution of substantial amounts of heat. Neutralization between an acid and a base produces water plus a salt. Carboxylic acids with six or fewer carbon atoms are freely or moderately soluble in water; those with more than six carbons are slightly soluble in water. Soluble carboxylic acid dissociate to an extent in water to yield hydrogen ions. The pH of solutions of carboxylic acids is therefore less than 7.0. Many insoluble carboxylic acids react rapidly with aqueous solutions containing a chemical base and dissolve as the neutralization generates a soluble salt. Carboxylic acids in aqueous solution and liquid or molten carboxylic acids can react with active metals to form gaseous hydrogen and a metal salt. Such reactions occur in principle for solid carboxylic acids as well, but are slow if the solid acid remains dry. Even "insoluble" carboxylic acids may absorb enough water from the air and dissolve sufficiently in O-TOLUIC ACID(118-90-1) to corrode or dissolve iron, steel, and aluminum parts and containers. Carboxylic acids, like other acids, react with cyanide salts to generate gaseous hydrogen cyanide. The reaction is slower for dry, solid carboxylic acids. Insoluble carboxylic acids react with solutions of cyanides to cause the release of gaseous hydrogen cyanide. Flammable and/or toxic gases and heat are generated by the reaction of carboxylic acids with diazo compounds, dithiocarbamates, isocyanates, mercaptans, nitrides, and sulfides. Carboxylic acids, especially in aqueous solution, also react with sulfites, nitrites, thiosulfates (to give H2S and SO3), dithionites (SO2), to generate flammable and/or toxic gases and heat. Their reaction with carbonates and bicarbonates generates a harmless gas (carbon dioxide) but still heat. Like other organic compounds, carboxylic acids can be oxidized by strong oxidizing agents and reduced by strong reducing agents. These reactions generate heat. A wide variety of products is possible. Like other acids, carboxylic acids may initiate polymerization reactions; like other acids, they often catalyze (increase the rate of) chemical reactions. This chemical is incompatible with strong oxidizers.
Air & Water Reactions
Fine dust dispensed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust explosion hazard. . Insoluble in water.
Fire Hazard
Flash point data for this chemical are not available. O-TOLUIC ACID is probably combustible. Fine dust dispensed in air in sufficient concentrations, and in the presence of an ignition source is a potential dust explosion hazard.
Chemical Properties
White crystals. Slightly soluble in water; soluble in alcohol and chloroform. Combustible.
Definition
ChEBI: A methylbenzoic acid that is benzoic acid substituted by a methyl group at position 2.
Synthesis Reference(s)
Organic Syntheses, Coll. Vol. 2, p. 588, 1943
The Journal of Organic Chemistry, 25, p. 616, 1960 DOI: 10.1021/jo01074a035
Tetrahedron Letters, 22, p. 1013, 1981 DOI: 10.1016/S0040-4039(01)82853-7
Purification Methods
Crystallise the acid from *benzene (2.5mL/g) and dry in air. The S-benzylisothiuronium salt has m 146o (from aqueous EtOH). [Beilstein 9 IV 1697.]

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