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99-94-5

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Identification

Name
p-Toluic acid
CAS
99-94-5
Synonyms
4-METHYLBENZOIC ACID
4-METHYLBENZOIC ACID ZONE REFINED
4-TOLUIC ACID
AKOS BBS-00003712
BENZOIC ACID, 4-METHYL-
Crithminic acid
P-METHYLBENZOIC ACID
PTLA
P-TOLUIC ACID
P-TOLUYLIC ACID
RARECHEM AL BO 0067
SUPPORTED BENZOIC ACID
toluenecarboxylic acid
para-Toluic acid
p-carboxytoluene
p-toluic
P-ToluicAcid>98%
P-ToluicAcidForSynthesis
PARA-TOLUIC ACID FOR SYNTHESIS
4-Methylbenzoic acid 98%
EINECS(EC#)
202-803-3
Molecular Formula
C8H8O2
MDL Number
MFCD00002565
Molecular Weight
136.15
MOL File
99-94-5.mol

Chemical Properties

Appearance
colourless crystals or white crystalline powder
Melting point 
177-180 °C (lit.)
mp 
179 °C
Boiling point 
274-275 °C (lit.)
bp 
274-275 °C(lit.)

density 
1,06 g/cm3
vapor pressure 
0.02 hPa (70 °C)
refractive index 
1.5120 (estimate)
Fp 
181°C
storage temp. 
Store at RT.
solubility 
0.3g/l
pka
4.36(at 25℃)
form 
Powder
color 
White to slightly yellow-cream
Stability:
Stable. Incompatible with strong oxidizing agents, strong bases.
Water Solubility 
<0.1 g/100 mL at 19 ºC
Usage
Intermediates of Liquid Crystals
Merck 
14,9535
Detection Methods
T,NMR,HPLC
BRN 
507600
InChIKey
LPNBBFKOUUSUDB-UHFFFAOYSA-N
CAS DataBase Reference
99-94-5(CAS DataBase Reference)
NIST Chemistry Reference
Benzoic acid, 4-methyl-(99-94-5)
EPA Substance Registry System
99-94-5(EPA Substance)

Questions And Answer

Uses
p-Toluic Acid is used as a reagent in the synthesis of several organic compounds including that of 2-aryl-1,3,4-oxadiazole derivatives which are potential antibacterial agents. Also used in the synthesis of 4-(bromomethyl) benzoic acid.

Safety Data

Hazard Codes 
Xn
Risk Statements 
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
WGK Germany 
1

RTECS 
XU1575000

Autoignition Temperature
570 °C
TSCA 
Yes
HS Code 
29163900
Toxicity
LD50 orally in Rabbit: 400 mg/kg

Raw materials And Preparation Products

Hazard Information

General Description
White powder. Sublimes.
Reactivity Profile
P-TOLUIC ACID(99-94-5) 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 P-TOLUIC ACID(99-94-5) 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. P-TOLUIC ACID(99-94-5) is also incompatible with strong bases. .
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; however, P-TOLUIC ACID is probably combustible.
Chemical Properties
colourless crystals or white crystalline powder. Slightly soluble in water; soluble in alcohol and ether. Combustible.
Definition
ChEBI: A methylbenzoic acid in which the methyl substituent is located at position 4.
Synthesis Reference(s)
Journal of the American Chemical Society, 94, p. 4024, 1972 DOI: 10.1021/ja00766a069
The Journal of Organic Chemistry, 37, p. 2564, 1972 DOI: 10.1021/jo00981a010
Purification Methods
Crystallise the acid from water, water/EtOH (1:1), MeOH/water or *benzene. [Beilstein 9 IV 1724.] Aromatic acid impurities (to <0.05%) can be removed via the (±)--methylbenzylamine salt as described for 2,4-dichlorobenzoic acid [Ley & Yates Organic Process Research & Development 12 120 2008]. The S-benzylisothiuronium salt has m 164o (from aqueous EtOH).

Material Safety Data Sheet(MSDS)

msds information
p-Toluic acid(99-94-5).msds

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