para-thiocresol

1-mercapto-4-methylbenzene

CAS: 106-45-6 C7 H8 S MW: 124.20576000 burnt

Identification

Namepara-thiocresol
IUPAC4-methylbenzenethiol
CAS Number106-45-6
EINECS203-399-1
FDA UNII6L2WW9XYZO
Molecular FormulaC7 H8 S
Molecular Weight124.20576000
MDL NumberMFCD00004851
Nikkaji NumberJ5.051B
Beilstein0605761
XlogP32.90 (est)

Regulatory

Physical Properties

Appearance white leaflets (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Melting Point 43.00 to 44.00 °C. @ 760.00 mm Hg
Boiling Point 195.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.807000 mmHg @ 25.00 °C.
Flash Point 155.00 °F. TCC ( 68.33 °C. )
logP (o/w) 2.980 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Taste Description burnt green fatty

Safety Information

Preferred SDSView
Oral/Parenteral Toxicityintraperitoneal-mouse LD50 200 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryinformation only not used for fragrances or flavors
Recommendation for para-thiocresol usage levels up tonot for fragrance use.
Recommendation for para-thiocresol flavor usage levels up tonot for flavor use.

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

1- mercapto-4-methylbenzene 4- mercaptotoluene 4- methyl benzene thiol 4- methyl phenyl mercaptan 4- methyl thiophenol 4- methyl-benzenethiol 4- methylbenzenethiol 4- methylphenyl mercaptan 4- methylphenylmercaptan 4- methylthiophenol 4- thiocresol p- thiocresol 4- toluene thiol para- toluene thiol toluene-4-thiol 4- toluenethiol para- toluenethiol US Patents: 3,952,024 - Furfurylthioacetone PubMed: p-Toluenethiol as an initiator of autolysis in bakers' yeast. US Patents: Certain 2,5-dimethyl-3-thiopyrazines US Patents: Flavoring agent PubMed: Diastereoselective formation of aziridines from diazocarbonyl compounds and N-(O-pivaloylated D-galactosyl)benzylideneamines and ring-opening reactions with p-toluenethiol. PubMed: Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines. PubMed: Surface-enhanced Raman scattering from magneto-metal nanoparticle assemblies. PubMed: Mechanism of a redox coupling of seleninic acid with thiol. PubMed: Charge-transfer interaction of aromatic thiols with 2,3-dichloro-5,6-dicyano-p-benzoquinone: spectral and quantum mechanical studies. PubMed: Thiyl radical interaction with pyrimidine C5-C6 double bond. PubMed: Facile Cu(OTf)2-catalyzed preparation of per-O-acetylated hexopyranoses with stoichiometric acetic anhydride and sequential one-pot anomeric substitution to thioglycosides under solvent-free conditions. PubMed: [Solid-phase synthesis of peptides modelling the transmembrane segment of bacteriorhodopsin]. PubMed: Synthesis of a putative antigenic heptapeptide from Escherichia coli K88 ab protein fimbriae.