para-thiocresol
1-mercapto-4-methylbenzene
Identification
| Name | para-thiocresol |
| IUPAC | 4-methylbenzenethiol |
| CAS Number | 106-45-6 |
| EINECS | 203-399-1 |
| FDA UNII | 6L2WW9XYZO |
| Molecular Formula | C7 H8 S |
| Molecular Weight | 124.20576000 |
| MDL Number | MFCD00004851 |
| Nikkaji Number | J5.051B |
| Beilstein | 0605761 |
| XlogP3 | 2.90 (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 SDS | View |
| Oral/Parenteral Toxicity | intraperitoneal-mouse LD50 200 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | information only not used for fragrances or flavors |
| Recommendation for para-thiocresol usage levels up to | not for fragrance use. |
| Recommendation for para-thiocresol flavor usage levels up to | not for flavor use. |
Potential Uses
Natural Occurrence
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.