EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

para-thiocresol
1-mercapto-4-methylbenzene

Supplier Sponsors

Name:4-methylbenzenethiol
CAS Number: 106-45-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-399-1
FDA UNII:6L2WW9XYZO
Nikkaji Web:J5.051B
Beilstein Number:0605761
MDL:MFCD00004851
XlogP3:2.90 (est)
Molecular Weight:124.20576000
Formula:C7 H8 S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
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 mm/Hg @ 25.00 °C.
Flash Point: 155.00 °F. TCC ( 68.33 °C. )
logP (o/w): 2.980 (est)
Soluble in:
 alcohol
 water, 167.9 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Flavor Type: burnt
burnt green fatty
Taste Description: burnt green fatty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
EMD Millipore
For experimental / research use only.
4-Methylthiophenol
Santa Cruz Biotechnology
For experimental / research use only.
p-Thiocresol
Sigma-Aldrich: Aldrich
For experimental / research use only.
4-Methylbenzenethiol 98%
TCI AMERICA
For experimental / research use only.
p-Toluenethiol >97.0%(GC)(T)
 
Safety Information:
Preferred SDS: View
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
intraperitoneal-mouse LD50 200 mg/kg
National Technical Information Service. Vol. AD277-689

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
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.
 
Safety References:
EPI System: View
NLM Hazardous Substances Data Bank:Search
EPA Substance Registry Services (TSCA):106-45-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7811
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-methylbenzenethiol
Chemidplus:0000106456
RTECS:XT8925000 for cas# 106-45-6
 
References:
 4-methylbenzenethiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7811
Pubchem (sid):134971769
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.2900
Haz-Map:View
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 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
 

Articles:

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.
 
Notes:
None found
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