2-acetyl-benzothiophene
1-(1-benzothiophen-2-yl)ethanone
 
Notes:
None found
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      Product(s):
      A1497 2-Acetylbenzo[b]thiophene >98.0%(GC)
       
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1-(1-benzothiophen-2-yl)ethanone (Click)
CAS Number: 22720-75-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 245-177-7
Nikkaji Web: J286.284K
MDL: MFCD00090217
XlogP3-AA: 3.00 (est)
Molecular Weight: 176.23796000
Formula: C10 H8 O 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
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Pubchem Patents: Search
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 301.4 mg/L @ 25 °C (est)
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Organoleptic Properties:
 earthy  roasted  sweet  aromatic  
Taste Description:
earthy, roasted, sweet aromatic
  
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Cosmetic Information:
None found
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Suppliers:
Carbosynth
For experimental / research use only.
2-Acetyl-benzothiophene
Santa Cruz Biotechnology
For experimental / research use only.
2-Acetylbenzothiophene
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Acetylbenzothiophene 97%
TCI AMERICA
For experimental / research use only.
2-Acetylbenzo[b]thiophene >98.0%(GC)
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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
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Safety in Use Information:
Category: information only not used for fragrances or flavors
Recommendation for 2-acetyl-benzothiophene usage levels up to:
 not for fragrance use.
 
Recommendation for 2-acetyl-benzothiophene flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 89805
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-(1-benzothiophen-2-yl)ethanone
Chemidplus: 0022720758
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References:
 1-(1-benzothiophen-2-yl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 89805
Pubchem (sid): 135045800
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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: 2934.99.4400
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-acetyl benzothiophene
2-acetylbenzothiophene
1-benzo(b)thien-2-ylethan-1-one
1-(1-benzothiophen-2-yl)ethanone
 ethanone, 1-benzo[b]thien-2-yl-
 methyl 2-thianaphthenyl ketone
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Articles:
US Patents: 3,952,024 - Furfurylthioacetone
PubMed: 2-ABT-S-oxide detoxification by glutathione S-transferases A1-1, M1-1 and P1-1: implications for toxicity associated with zileuton.
PubMed: Irreversible alkylation of human serum albumin by zileuton metabolite 2-acetylbenzothiophene-S-oxide: a potential model for hepatotoxicity.
PubMed: In vitro metabolism of 2-acetylbenzothiophene: relevance to zileuton hepatotoxicity.
PubMed: Determination of 1-benzo[b]thien-2-ylethanone and related impurities by high performance liquid chromatography.
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