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3-acetyl thiophene
1-thiophen-3-ylethanone

Supplier Sponsors

CAS Number: 1468-83-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:215-996-4
FDA UNII: XB5SQX2RBW
Nikkaji Web:J80.123B
Beilstein Number:00107241
MDL:MFCD00005468
XlogP3:1.20 (est)
Molecular Weight:126.17802000
Formula:C6 H6 O S
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
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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 solid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 60.00 °C. @ 760.00 mm Hg
Boiling Point: 210.00 °C. @ 760.00 mm Hg
Boiling Point: 190.00 to 191.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.365000 mmHg (est)
Flash Point: 156.00 °F. TCC ( 69.00 °C. ) (est)
logP (o/w): 1.240
Soluble in:
 alcohol
 water, 8307 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
3-Acetylthiophene 95%
Santa Cruz Biotechnology
For experimental / research use only.
3-Acetylthiophene
Sigma-Aldrich: Aldrich
For experimental / research use only.
3-Acetylthiophene 98%
TCI AMERICA
For experimental / research use only.
3-Acetylthiophene >95.0%(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
 
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 3-acetyl thiophene usage levels up to:
 not for fragrance use.
 
Recommendation for 3-acetyl thiophene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :15116
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-thiophen-3-ylethanone
Chemidplus:0001468833
 
References:
 1-thiophen-3-ylethanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):15116
Pubchem (sid):134980685
 
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
HMDB (The Human Metabolome Database):HMDB33134
FooDB:FDB011135
Export Tariff Code:2934.99.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 velvety
 
Occurrence (nature, food, other):note
 coffee roasted coffee
Search PMC Picture
 
Synonyms:
3-acetylthiophene
 ethanone, 1-(3-thienyl)-
 ketone, methyl 3-thienyl
 methyl 3-thienyl ketone
 methyl-3-thienyl ketone
1-(thien-3-yl)ethan-1-one
1-oxo-1-(thien-3-yl)ethane
1-thien-3-ylethanone
1-(3-thienyl)ethanone
1-thiophen-3-yl-ethanone
1-(thiophen-3-yl)ethan-1-one
1-(thiophen-3-yl)ethanone
1-thiophen-3-ylethanone
 
 
Notes:
Maillard product; organoleptic
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