1-(2-thienyl) butanone
N-propyl 2-thienyl ketone
 
Notes:
Flavour enhancer for coffee
  • Endeavour Specialty Chemicals
    • Endeavour Specialty Chemicals Ltd
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      TP0120 1-Thien-2-ylbutan-1-one 99% F&F
       
  • Robinson Brothers
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
      Innovative ingredient solutions
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      Product(s):
      2-Butanoylthiophene
       
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CAS Number: 5333-83-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 226-246-0
FDA UNII: BIQ5M88OLZ
Nikkaji Web: J45.630F
MDL: MFCD00022503
XlogP3: 2.10 (est)
Molecular Weight: 154.23190000
Formula: C8 H10 O S
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
Pubchem Patents: Search
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 242.00 to  244.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.028000 mmHg @ 25.00 °C. (est)
Flash Point: 216.00 °F. TCC ( 102.22 °C. )
logP (o/w): 2.289 (est)
Soluble in:
 alcohol
 water, 558.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: meaty
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 grilled  roasted  beefy roasted beefy  meaty  
Odor Description:
at 0.01 % in propylene glycol. 
grilled roast beefy meaty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Endeavour Specialty Chemicals
1-Thien-2-ylbutan-1-one 99% F&F
Speciality Chemical Product Groups
R C Treatt & Co Ltd
2-Butanoylthiophene
Robinson Brothers
1-Thien-2-ylbutan-1-one F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich: Aldrich
For experimental / research use only.
-(2-Thienyl)-1-butanone
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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: flavoring agents
Recommendation for 1-(2-thienyl) butanone usage levels up to:
 not for fragrance use.
 
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 79248
National Institute of Allergy and Infectious Diseases: Data
 1-thiophen-2-ylbutan-1-one
Chemidplus: 0005333835
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References:
 1-thiophen-2-ylbutan-1-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 79248
Pubchem (sid): 135036110
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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): HMDB32935
FooDB: FDB010920
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 sulfuryl octanoateFL/FR
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
 sulfuryl propionateFL/FR
caramellic
 fenugreek oleoresinFL/FR
chocolate
 chocolate pyrazine AFL/FR
2,6-dimethyl pyrazineFL/FR
2,5-dimethyl pyrazineFL/FR
2-methoxy-3-methyl pyrazineFL/FR
coffee
 coffee difuranFL/FR
 furfuryl mercaptanFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
corn chip
 popcorn pyrimidineFL/FR
 nutty pyrazineFL/FR
green
2-heptyl furanFL/FR
 sulfurolFL/FR
 sulfuryl acetateFL/FR
musty
3-acetyl-2,5-dimethyl furanFL/FR
 hazelnut pyrazineFL/FR
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
3,5-cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
 filbert heptenoneFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
 nutty quinoxalineFL/FR
2,4,5-trimethyl oxazoleFL/FR
2,3,5-trimethyl pyrazineFL/FR
popcorn
2-acetyl thiazoleFL/FR
roasted
2-acetyl-2-pyrroline 
 fenugreek resinoidFL/FR
2-methyl-1-butanolFL/FR
 ethyl 3-mercaptobutyrateFL/FR
 fish thiolFL/FR
 furfuryl thioacetateFL/FR
2-mercaptopropionic acidFL/FR
woody
2-methoxy-4-vinyl phenolFL/FR
 
For Flavor
 
No flavor group found for these
2-acetyl-2-pyrroline 
 benzyl methyl sulfideFL
1,2-butane dithiolFL
2-butenoic acidFL
2-isobutyl-4,5-dimethyl oxazoleFL
2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazineFL
 chocolate pyrazine AFL/FR
 chocolate pyrazine BFL
3,6-diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceriFL
6,7-dihydro-2,3-dimethyl-5H-cyclopentapyrazineFL
 dimethyl dihydrocyclopentapyrazineFL
2,5-dimethyl thiazoleFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
2,5-dimethyl-3-thiofuroyl furanFL
 ethyl 3-mercaptobutyrateFL/FR
3-(ethyl thio) butanolFL
(Z+E)-5-ethyl-4-methyl-2-(2-butyl) thiazolineFL
(Z+E)-5-ethyl-4-methyl-2-(2-methyl propyl) thiazolineFL
3-mercapto-3-methyl butyl formateFL
4-methoxybenzoyl oxyacetic acidFL
 methyl 2-(methyl thio) acetateFL
2-(methyl thio) methyl-2-butenalFL
2-methyl-1-butanolFL/FR
2-methyl-3-,5 or 6-(furfuryl thio) pyrazineFL/FR
2-methyl-3-(methyl thio) pyrazineFL/FR
2-methyl-3-ethoxypyrazineFL/FR
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
1-phenyl-3(5)-propyl pyrazoleFL
3-isopropenyl pentane dioic acidFL
2-propionyl pyrroleFL
 propionyl pyrroline 1% in vegatable oil triglycerideFL
 propyl propane thiosulfonateFL
 pyrazineFL
 pyrazines mixtureFL
 sodium methoxybenzoyl oxyacetateFL
 sulfuryl butyrateFL/FR
 sulfuryl decanoateFL/FR
 sulfuryl hexanoateFL/FR
 sulfuryl isobutyrateFL/FR
5-acetyl-2,3-dihydro-1,4-thiazineFL
S-allyl-laevo-cysteineFL
3,5-dimethyl-1,2,4-trithiolaneFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,4-dimethyl-3-oxazolineFL
(±)-3-(methyl thio) heptanalFL
3-(methyl thio) methyl thiopheneFL
2-methyl-1-methyl thio-2-buteneFL
4-pentenalFL
 pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazineFL
 sulfuryl formateFL
 sulfuryl octanoateFL/FR
 sulfuryl propionateFL/FR
alliaceous
 allyl mercaptanFL
3-mercapto-2-pentanoneFL
bitter
2-acetyl-5-methyl pyrroleFL
 methyl ethoxypyrazineFL
brown
 fenugreek oleoresinFL/FR
burnt
 tea pyrroleFL
2,4,5-trimethyl oxazoleFL/FR
caramellic
 fenugreek resinoidFL/FR
chemical
2,5-dimethyl furanFL
coffee
 coffee difuranFL/FR
2,4-dimethyl thiazoleFL
 furfuryl mercaptanFL/FR
2-thiophene thiolFL
corn chip
2-acetyl thiazoleFL/FR
 popcorn pyrimidineFL/FR
creamy
2,5-dimethyl-3-thioisovaleryl furanFL
fatty
4,5-dimethyl-2-propyl oxazoleFL
2-heptyl furanFL/FR
fishy
4,5-dimethyl thiazoleFL
green
2,5-dimethyl-4-ethyl oxazoleFL
meaty
4-allyl-2,6-dimethoxyphenolFL
2,6-dimethyl thiophenolFL
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%FL
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
3-mercapto-3-methyl butanolFL
2-mercaptomethyl pyrazineFL
2-mercaptopropionic acidFL/FR
2-methyl 3-(methyl thio) furanFL
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
2-methyl-3-tetrahydrofuran thiolFL
 propyl 2-mercaptopropionateFL
2-pyridinyl methane thiolFL
 sulfurolFL/FR
 sulfuryl acetateFL/FR
 thialdineFL
mustard
 furfuryl methyl etherFL
musty
2,5-dimethyl pyrazineFL/FR
2-ethoxythiazoleFL
 hazelnut pyrazineFL/FR
2,3,5-trimethyl pyrazineFL/FR
nutty
3-acetyl-2,5-dimethyl furanFL/FR
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-3-methyl pyrazineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
2-acetyl-3,5(or 6)-dimethyl pyrazineFL/FR
2-butyl-2-butenalFL
3,5-cocoa pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
2,6-dimethyl pyrazineFL/FR
2-ethyl-6-methyl pyrazineFL
 filbert heptenoneFL/FR
2-methoxy-3-methyl pyrazineFL/FR
2-methyl pyrazineFL/FR
5-methyl quinoxalineFL/FR
 nutty pyrazineFL/FR
 nutty quinoxalineFL/FR
 nutty thiazoleFL
phenolic
2-ethyl benzene thiolFL
popcorn
2-propionyl-2-thiazolineFL
roasted
3,5-diisobutyl-1,2,4-trithiolaneFL
 furfuryl thioacetateFL/FR
 gluconyl ethanolamineFL
 gluconyl ethanolamine phosphateFL
 hexyl mercaptanFL
 lactoyl ethanolamineFL
 lactoyl ethanolamine phosphateFL
 methyl isopentyl disulfideFL
smoky
2-methoxy-4-vinyl phenolFL/FR
sulfurous
 fish thiolFL/FR
 methyl 2-methyl-3-furyl disulfideFL
3-methyl-2-butane thiolFL
 roasted butanolFL
2-thienyl mercaptanFL
2,4,6-trithiaheptane 10% in triacetinFL
winey
5-ethyl-2-methyl pyridineFL
 
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Potential Uses:
 beef roasted beefFL
 coffeeFR
 meatFL
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Occurrence (nature, food, other): note
 beef roasted beef
Search  PMC Picture
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Synonyms:
2-butanoyl thiophene
2-butanoylthiophene
2-butyryl thiophene
2-butyrylthiophene
N-propyl 2-thienyl ketone
1-(2-thienyl)-1-butanone
1-(2-thienyl)butan-1-one
1-thiophen-2-yl butan-1-one
1-(thiophen-2-yl)butan-1-one
1-thiophen-2-ylbutan-1-one
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