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

2-(methyl thio) benzothiazole
benzothiazole, 2-(methylthio)-

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CAS Number: 615-22-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-417-1
FDA UNII: 2748L341KY
Nikkaji Web:J37.327C
XlogP3:3.10 (est)
Molecular Weight:181.28079000
Formula:C8 H7 N S2
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:natural substances and extractives
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
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 44.00 to 46.00 °C. @ 760.00 mm Hg
Boiling Point: 302.00 to 303.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.002000 mmHg @ 25.00 °C. (est)
Flash Point:> 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 3.150
Soluble in:
 water, 110.8 mg/L @ 25 °C (est)
 water, 125 mg/L @ 24C (exp)
Insoluble in:
Organoleptic Properties:
Odor Type: fatty
fatty woody smoky
Odor Description:at 0.10 % in dipropylene glycol. fatty woody smoky
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
BOC Sciences
For experimental / research use only.
2-(Methylthio)benzothiazole 95%
For experimental / research use only.
Santa Cruz Biotechnology
For experimental / research use only.
2-(Methylthio)benzothiazole 97%
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-(Methylthio)benzothiazole 97%
For experimental / research use only.
2-(Methylthio)benzothiazole >98.0%(GC)
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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
Safety in Use Information:
natural substances and extractives
Recommendation for 2-(methyl thio) benzothiazole usage levels up to:
 not for fragrance use.
Recommendation for 2-(methyl thio) benzothiazole flavor usage levels up to:
 not for flavor use.
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):615-22-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11989
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):11989
Pubchem (sid):134977488
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
UM BBD:Search
KEGG (GenomeNet):C10910
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2934.20.8000
VCF-Online:VCF Volatile Compounds in Food
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 endive leaf
Search Trop Picture
 guava fruit
Search Trop Picture
 benzothiazole, 2-(methylthio)-
2-(methyl mercapto) benzothiazole
2-methyl thiobenzothiazole


PubMed:Plant-plant-microbe mechanisms involved in soil-borne disease suppression on a maize and pepper intercropping system.
PubMed:Monitoring of 1300 organic micro-pollutants in surface waters from Tianjin, North China.
PubMed:Benzotriazoles and benzothiazoles in human urine from several countries: a perspective on occurrence, biotransformation, and human exposure.
PubMed:Development of a solid-phase extraction liquid chromatography tandem mass spectrometry method for benzotriazoles and benzothiazoles in wastewater and recycled water.
PubMed:Occurrence and removal efficiencies of benzotriazoles and benzothiazoles in a wastewater treatment plant in Greece.
PubMed:Determination of benzotriazoles and benzothiazoles in human urine by liquid chromatography-tandem mass spectrometry.
PubMed:Occurrence and fate of benzothiazoles and benzotriazoles in constructed wetlands.
PubMed:Mercaptobenzothiazole allergenicity-role of the thiol group.
PubMed:Evaluation of the treatment efficiencies of paper mill whitewaters in terms of organic composition and toxicity.
PubMed:Comparative aquatic toxicity evaluation of 2-(thiocyanomethylthio)benzothiazole and selected degradation products using Ceriodaphnia dubia.
PubMed:In vitro metabolism of the methylthio group of 2-methylthiobenzothiazole by rat liver.
PubMed:Freshwater leeches (Hirudinea) as a screening tool for detecting organic contaminants in the environment.
PubMed:[Characterization by thin layer chromatography of benzothiazole derivatives and beta-sitosterol leached by disposable syringes].
PubMed:Microbial removal of wastewater organic compounds as a function of input concentration in soil columns.
PubMed:Fulvic-acid-enhanced biodegradation of aquatic contaminants.
PubMed:Nonpolar lipid methylation-identification of nonpolar methylated products synthesized by rat basophilic leukemia cells, retina and parotid.
None found
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