2-acetyl-4-methyl thiophene
1-(4-methylthiophen-2-yl)ethanone
 
Notes:
None found
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1-(4-methylthiophen-2-yl)ethanone (Click)
CAS Number: 13679-73-7Picture of molecule
ECHA EINECS - REACH Pre-Reg: 237-180-7
Nikkaji Web: J236.244I
MDL: MFCD00027395
XlogP3-AA: 2.00 (est)
Molecular Weight: 140.20496000
Formula: C7 H8 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: natural substances and extractives
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 236.00 to  237.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 97.00 to  99.00 °C. @ 8.00 mm Hg
Vapor Pressure: 0.046000 mm/Hg @ 25.00 °C. (est)
Flash Point: 207.00 °F. TCC ( 97.10 °C. ) (est)
logP (o/w): 1.186 (est)
Soluble in:
 alcohol
 water, 1510 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 nutty  potato  
Taste Description:
nutty, starchy
  
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Cosmetic Information:
None found
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Suppliers:
Santa Cruz Biotechnology
For experimental / research use only.
2-acetyl-4-methylthiophene
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Acetyl-4-methylthiophene 97%
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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: natural substances and extractives
Recommendation for 2-acetyl-4-methyl thiophene usage levels up to:
 not for fragrance use.
 
Recommendation for 2-acetyl-4-methyl thiophene 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 : 83654
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 1-(4-methylthiophen-2-yl)ethanone
Chemidplus: 0013679737
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References:
 1-(4-methylthiophen-2-yl)ethanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 83654
Pubchem (sid): 135041227
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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
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
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
 coffee roasted coffee
Search  Picture
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Synonyms:
2-acetyl-4-methylthiophene
 ethanone, 1-(4-methyl-2-thienyl)-
4-methyl-2-acetylthiophene
1-(4-methyl-2-thienyl) ethan-1-one
1-(4-methyl-2-thienyl)ethan-1-one
1-(4-methyl-2-thienyl)ethanone
1-(4-methylthiophen-2-yl)ethanone
 thiophene, 2-acetyl-4-methyl-
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