P-Cresol

Base Information

• Chemical Name: P-Cresol
• CAS No.: 1319-77-3
• Molecular Formula: C7H8O
• Molecular Weight: 108.15
• Hs Code.: 29071219
• European Community (EC) Number: 203-398-6
• ICSC Number: 0031
• NSC Number: 756709,95259,3696
• UN Number: 2076,3455
• UNII: 1MXY2UM8NV
• DSSTox Substance ID: DTXSID7021869
• Nikkaji Number: J1.185A
• Wikipedia: P-Cresol
• Wikidata: Q312251,Q83056691,Q83118968
• NCI Thesaurus Code: C61880
• RXCUI: 2467144
• Pharos Ligand ID: 8HBUAKMT3JC1
• Metabolomics Workbench ID: 37894
• ChEMBL ID: CHEMBL16645
• Mol file: 1319-77-3.mol

Synonyms:4-cresol;4-cresol, aluminum salt;4-cresol, potassium salt;4-cresol, sodium salt;4-methylphenol;p-cresol;para-cresol

Chemical Property of P-Cresol

Chemical Property:

• Appearance/Colour: light yellow to light pink liquid
• Vapor Pressure: 0.379mmHg at 25°C
• Melting Point: -1 - -2 °C
• Refractive Index: 1.546
• Boiling Point: 88-94 °C
• Flash Point: 82 °C
• PSA: 60.69000
• Density: 1.04 g/cm³
• LogP: 5.10180
• Storage Temp.: Store at R.T.
• Water Solubility.: 1.932 g/100 mL
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 108.057514874
• Heavy Atom Count: 8
• Complexity: 62.8
• Transport DOT Label: Poison Corrosive

Purity/Quality:

99%min ^*data from raw suppliers

Cresol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 20-24/25-34-52/53-68
• Safety Statements: 26-36/37/39-45-61-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC1=CC=C(C=C1)O
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is corrosive to the eyes, skin and respiratory tract. Corrosive on ingestion. Inhalation may cause lung oedema, but only after initial corrosive effects on eyes and/or airways have become manifest. The substance may cause effects on the central nervous system. This may result in lowering of consciousness. The substance may cause effects on the blood. This may result in destruction of blood cells. Exposure far above the OEL could cause death. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or prolonged contact with skin may cause dermatitis. The substance may have effects on the nervous system. This may result in impaired functions. The substance may have effects on the blood. This may result in anaemia.
• Description: Professions that involve dealing with the combustion of coal or wood may be exposed to higher levels of cresols than the general population. Environmental tobacco smoke is also a source of cresol exposure. Average cresol concentration may vary between the brand and type of cigarette in a 45-cubic meter chamber after six cigarettes had been smoked (ranged from 0.17 to 3.9 mg m3), although low levels of cresol can be detected in certain foods and tap water, and these do not constitute major sources of exposure for most population. Detectable levels of cresols have been reported in several consumer products including tealeaves, tomatoes, and ketchup as well as butter, oil, and various cheeses. Exposure to children occurs by the same routes that affect adults. Children are likely to be exposed to cresols through inhalation of contaminated air from automobile exhaust, waste incineration, and secondhand smoke.
• Uses: Disinfectant, phenolic resins, tricresyl phosphate, ore flotation, textile scouring agent, organic intermediate, manufacture of salicylaldehyde, coumarin, and herbicides, surfactant, synthetic food flavors (para isomer only). Cresol is used in disinfectants and fumigants,in the manufacture of synthetic resins, inphotographic developers and explosives. Cresols (mixtures of the ortho-, meta-, and para-isomers) are synthesized by sulfonation or oxidation of toluene compounds or can be derived from coal tar and petroleum. Commercial grade crude cresol is generally a mixture of 20% o-cresol, 40% m-cresol, and 30% p-cresol. Phenol and xylenols are often found as minor contaminants. Manufacture of synthetic resins, tricresyl phosphate, salicylaldehyde, coumarin, and herbicides employ cresols. Degreasing compounds in textile scouring, paintbrush cleaners as well as fumigants in photographic developers, and explosives contains cresols. Cresols are also often used as antiseptics, disinfectants, and antiparasitic agents in veterinary medicine. Estimated breakdown of cresol and cresylic acid use is 20% phenolic resins, 20% wire enamel solvents, 10% agricultural chemicals, 5% phosphate esters, 5% disinfectants and cleaning compounds, 5% ore flotation, and 25% miscellaneous purposes. Overall, use of cresols as antimicrobial outweighs any other property.

Refernces

Behavior of Mixed Halogenated Phenols in the Zincke Method of Nitration

10.1021/ja01332a059

The study investigates the behavior of mixed halogenated phenols and cresols in the Zincke method of nitration. Various mixed halogenated phenols, such as 2-bromo-4-chlorophenol, 2-chloro-4-bromophenol, and their derivatives, were prepared and subjected to nitration. The researchers observed that when bromine occupies both ortho and para positions in a phenol or cresol, isomeric mononitro compounds can be formed. For the first time, it was shown that a phenol with hydrogen in one ortho position and bromine in the other can undergo nitration at both positions in the same experiment. Chlorine was found not to be replaceable by the nitro group under the studied conditions. The study also provided further evidence supporting the view that only one acetyl-benzoyl derivative can be prepared from an o-aminophenol regardless of the order of introduction of the acyl radicals.