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2-hydroxybenzothiazole
2-hydroxy-1,3-benzothiazole

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Name:3H-1,3-benzothiazol-2-one
CAS Number: 934-34-9Picture of molecule3D/inchi
Other(deleted CASRN):4464-59-9
ECHA EINECS - REACH Pre-Reg:213-281-1
FDA UNII: 7T26K7NG46
Nikkaji Web:J24.621B
MDL:MFCD00022868
XlogP3:1.80 (est)
Molecular Weight:151.18805000
Formula:C7 H5 N O S
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
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white to tan crystalline powder (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 136.00 to 140.00 °C. @ 760.00 mm Hg
Boiling Point: 360.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.000011 mmHg @ 25.00 °C. (est)
Flash Point: 341.00 °F. TCC ( 171.50 °C. ) (est)
logP (o/w): 1.760
Soluble in:
 water, 2354 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
2-Hydroxybenzothiazole
Jalor-Chem
For experimental / research use only.
2(3H)-Hydroxybenzothiazole
Matrix Scientific
For experimental / research use only.
Benzothiazolone, 95+%
sds
Santa Cruz Biotechnology
For experimental / research use only.
2-Hydroxybenzothiazole
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Hydroxybenzothiazole 98%
sds
TCI AMERICA
For experimental / research use only.
2(3H)-Hydroxybenzothiazole >98.0%(GC)
sds
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
natural substances and extractives
Recommendation for 2-hydroxybenzothiazole usage levels up to:
 not for fragrance use.
 
Recommendation for 2-hydroxybenzothiazole 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):934-34-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :13625
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3H-1,3-benzothiazol-2-one
Chemidplus:0000934349
 
References:
 3H-1,3-benzothiazol-2-one
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:934-34-9
Pubchem (cid):13625
Pubchem (sid):134981415
 
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
CHEBI:View
CHEMBL:View
UM BBD:Search
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2934.20.8000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 wine
Search Picture
 
Synonyms:
 benzo[d]thiazol-2-ol
 benzo[d]thiazol-2(3H)-one
1,3-benzothiazol-2-ol
3H-benzothiazol-2-one
3H-1,3-benzothiazol-2-one
 benzothiazol-2(3H)-one
1,3-benzothiazol-2(3H)-one
 benzothiazole, 2-hydroxy-
2-benzothiazolinone
2-benzothiazolol
2-benzothiazolone
2(3H)-benzothiazolone
3-hydrobenzothiazol-2-one
2-hydroxy-1,3-benzothiazole
 

Articles:

PubMed:A pressurised hot water extraction and liquid chromatography-high resolution mass spectrometry method to determine polar benzotriazole, benzothiazole and benzenesulfonamide derivates in sewage sludge.
PubMed:A quick, easy, cheap, effective, rugged and safe extraction method followed by liquid chromatography-(Orbitrap) high resolution mass spectrometry to determine benzotriazole, benzothiazole and benzenesulfonamide derivates in sewage sludge.
PubMed:Removal of the 2-mercaptobenotiazole from model wastewater by ozonation.
PubMed:Development of a solid-phase extraction liquid chromatography tandem mass spectrometry method for benzotriazoles and benzothiazoles in wastewater and recycled water.
PubMed:Hydroxylamine as an oxygen nucleophile: substitution of sulfonamide by a hydroxyl group in benzothiazole-2-sulfonamides.
PubMed:Simultaneous determination of benzotriazole and benzothiazole derivatives in aqueous matrices by mixed-mode solid-phase extraction followed by liquid chromatography–tandem mass spectrometry.
PubMed:Biotransformation of benzothiazole derivatives by the Pseudomonas putida strain HKT554.
PubMed:Occurrence and fate of benzothiazoles and benzotriazoles in constructed wetlands.
PubMed:Polymerase chain reaction-denaturing gradient gel electrophoresis analysis of microbial community structure in landfill leachate.
PubMed:Mercaptobenzothiazole allergenicity-role of the thiol group.
PubMed:Occurrence, sources, and fate of benzothiazoles in municipal wastewater treatment plants.
PubMed:Comparative aquatic toxicity evaluation of 2-(thiocyanomethylthio)benzothiazole and selected degradation products using Ceriodaphnia dubia.
PubMed:Determination of benzothiazoles from complex aqueous samples by liquid chromatography-mass spectrometry following solid-phase extraction.
PubMed:Occurrence of benzothiazoles in municipal wastewater and their fate in biological treatment.
PubMed:Benzothiazole degradation by Rhodococcus pyridinovorans strain PA: evidence of a catechol 1,2-dioxygenase activity.
PubMed:Microbial transformations of 2-substituted benzothiazoles.
PubMed:Long-range (1)H-(15)N heteronuclear shift correlation at natural abundance: a tool to study benzothiazole biodegradation by two rhodococcus strains.
PubMed:Determination of 2-substituted benzothiazoles of industrial use from water by liquid chromatography/electrospray ionization tandem mass spectrometry.
PubMed:Initial transformations in the biodegradation of benzothiazoles by Rhodococcus isolates.
PubMed:Phytotoxic substances in root exudates of cucumber (Cucumis sativus L.).
PubMed:[Characterization by thin layer chromatography of benzothiazole derivatives and beta-sitosterol leached by disposable syringes].
PubMed:Mass spectral identification of benzothiazole derivatives leached into injections by disposable syringes.
 
Notes:
None found
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