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p-Toluic acid

CAS No.
99-94-5
Chemical Name:
p-Toluic acid
Synonyms
4-METHYLBENZOIC ACID;PTLA;p-Tolylcarboxylic acid;4-TOLUIC ACID;para-Toluic acid;BENZOIC ACID, 4-METHYL-;p-toluic;P-TOLUYLIC ACID;p-carboxytoluene;P-METHYLBENZOIC ACID
CBNumber:
CB7854776
Molecular Formula:
C8H8O2
Molecular Weight:
136.15
MDL Number:
MFCD00002565
MOL File:
99-94-5.mol
MSDS File:
SDS
Last updated:2023-09-04 17:31:24

p-Toluic acid Properties

Melting point 177-180 °C (lit.)
Boiling point 274-275 °C (lit.)
Density 1,06 g/cm3
vapor pressure 0.02 hPa (70 °C)
refractive index 1.5120 (estimate)
Flash point 181°C
storage temp. Store below +30°C.
solubility 0.3g/l
form Powder
pka 4.36(at 25℃)
color White to slightly yellow-cream
PH 3.73(1 mM solution);3.2(10 mM solution);2.69(100 mM solution)
Water Solubility <0.1 g/100 mL at 19 ºC
Merck 14,9535
BRN 507600
Stability Stable. Incompatible with strong oxidizing agents, strong bases.
InChIKey LPNBBFKOUUSUDB-UHFFFAOYSA-N
LogP 2.44
CAS DataBase Reference 99-94-5(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII A26GBX5SSV
NIST Chemistry Reference Benzoic acid, 4-methyl-(99-94-5)
EPA Substance Registry System Benzoic acid, 4-methyl- (99-94-5)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictograms
GHS07
Signal word  Warning
Hazard statements  H317
Precautionary statements  P261-P272-P280-P302+P352-P333+P313-P362+P364
Hazard Codes  Xn
Risk Statements  22
Safety Statements  22-24/25
WGK Germany  1
RTECS  XU1575000
Autoignition Temperature 570 °C
TSCA  Yes
HS Code  29163900
Toxicity LD50 orally in Rabbit: 400 mg/kg
NFPA 704
0
1 0

p-Toluic acid price More Price(27)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich T36803 p-Toluic acid 98% 99-94-5 5g $36.4 2024-03-01 Buy
Sigma-Aldrich 41768 p-Toluic acid analytical standard 99-94-5 100mg $89.2 2022-05-15 Buy
TCI Chemical T0293 p-Toluic Acid >98.0%(GC)(T) 99-94-5 25g $20 2024-03-01 Buy
TCI Chemical T0293 p-Toluic Acid >98.0%(GC)(T) 99-94-5 500g $61 2024-03-01 Buy
Alfa Aesar A11506 p-Toluic acid, 98% 99-94-5 250g $49.4 2024-03-01 Buy
Product number Packaging Price Buy
T36803 5g $36.4 Buy
41768 100mg $89.2 Buy
T0293 25g $20 Buy
T0293 500g $61 Buy
A11506 250g $49.4 Buy

p-Toluic acid Chemical Properties,Uses,Production

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.

Chemical Properties

colourless crystals or white crystalline powder. Slightly soluble in water; soluble in alcohol and ether. Combustible.

Uses

Intermediates of Liquid Crystals

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.

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

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.

Reactivity Profile

p-Toluic acid 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 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. p-Toluic acid is incompatible with strong oxidizers. p-Toluic acid is also incompatible with strong bases. .

Fire Hazard

Flash point data for p-Toluic acid are not available; however, p-Toluic acid is probably combustible.

Flammability and Explosibility

Not classified

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).

122-00-9
99-94-5
Synthesis of p-Toluic acid from 4'-Methylacetophenone
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View Lastest Price from p-Toluic acid manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
p-Toluic acid pictures 2023-11-08 p-Toluic acid
99-94-5
US $0.00 / kg 1kg 99% 2000ton Shaanxi Haibo Biotechnology Co., Ltd
p-Toluic acid pictures 2023-05-25 p-Toluic acid
99-94-5
US $5.00-2.00 / KG 1KG 99% 10000kg Hebei Guanlang Biotechnology Co,.LTD
p-Toluic acid pictures 2023-04-12 p-Toluic acid
99-94-5
US $68.00 / KG 1KG Above97% Weekly supply of 1000KG Wuhan Dujiang Industrial Co., Ltd.
  • p-Toluic acid pictures
  • p-Toluic acid
    99-94-5
  • US $0.00 / kg
  • 99%
  • Shaanxi Haibo Biotechnology Co., Ltd
  • p-Toluic acid pictures
  • p-Toluic acid
    99-94-5
  • US $5.00-2.00 / KG
  • 99%
  • Hebei Guanlang Biotechnology Co,.LTD
  • p-Toluic acid pictures
  • p-Toluic acid
    99-94-5
  • US $68.00 / KG
  • Above97%
  • Wuhan Dujiang Industrial Co., Ltd.
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