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2-acetyl thiophene
2-acetylthiophene

Supplier Sponsors

Flavor Demo Formulas
Name:1-thiophen-2-ylethanone
CAS Number: 88-15-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:201-804-6
FDA UNII: 5ASO208T20
Nikkaji Web:J4.289G
Beilstein Number:0107910
MDL:MFCD00005442
CoE Number:11728
XlogP3:1.20 (est)
Molecular Weight:126.17802000
Formula:C6 H6 O S
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance 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
PubMed:Search
NCBI:Search
DG SANTE Food Flavourings:15.040 2-acetylthiophene
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.16400 to 1.17100 @ 25.00 °C.
Pounds per Gallon - (est).: 9.686 to 9.744
Refractive Index:1.56300 to 1.56900 @ 20.00 °C.
Melting Point: 34.00 °C. @ 760.00 mm Hg
Boiling Point: 213.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.172000 mmHg @ 25.00 °C. (est)
Flash Point: 204.00 °F. TCC ( 95.56 °C. )
logP (o/w): 1.250
Shelf Life: 12.00 month(s) or longer if stored properly.
Storage:store in cool, dry place in tightly sealed containers, protected from heat and light.
Soluble in:
 alcohol
 water, 14000 mg/L @ 30 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
sulfurous nutty hazelnut walnut
Odor Description:at 100.00 %. sulfurous nutty hazelnut walnut
Flavor Type: onion
onion malty roasted
Taste Description: onion, malty, roasted
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Ambles Nature et Chimie
2-ACETYL THIOPHENE
Anhui Suzhou Jinli Aromatic Chemicals
2-Acetyl Thiophene
Odor: fried hazel nut, walnut
Beijing Lys Chemicals
2-Acetylthiophene
BOC Sciences
For experimental / research use only.
2-Acetyl Thiophene 95%
DeLong Chemicals America
2-Acetyl thiophene, Kosher
Jiangyin Healthway
2-Acetyl Thiophene
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
2-Acetyl thiophene Kosherk
Lluch Essence
2-ACETYL THIOPHENE
M&U International
2-ACETYL THIOPHENE, Kosher
Matrix Scientific
For experimental / research use only.
2-Acetylthiophene, 99%
sds
OQEMA
2-Acetyl Thiophene
Pearlchem Corporation
2-Acetyl Thiophene
Penta International
2-ACETYLTHIOPHENE
R C Treatt & Co Ltd
2-Acetylthiophene
Reincke & Fichtner
2-Acetylthiophene
Sigma-Aldrich
2-Acetylthiophene, ≥98%, FG
sds
Certified Food Grade Products
Synerzine
2-Acetylthiophene
TCI AMERICA
For experimental / research use only.
2-Acetylthiophene >98.0%(GC)
sds
Tengzhou Jitian Aroma Chemiclal
2-Acetyl Thiophene
Tengzhou Xiang Yuan Aroma Chemicals
2-Acetyl Thiophene
Tianjin Danjun International
2-Acetyl thiophene
United International
2-Acetylthiophene
WholeChem
2-Acetylthiophene
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
T - Toxic.
R 25 - Toxic if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 23 - Do not breath vapour.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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:
intraperitoneal-mouse LD50 40 mg/kg
National Technical Information Service. Vol. AD691-490

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.049 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
Threshold of Concern:540 (μg/person/day)
Structure Class: II
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 21: Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30. (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

Flavouring Group Evaluation 76, (FGE.76)[1] - Consideration of sulphur-containing heterocyclic compounds evaluated by JECFA (59th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29, miscellaneous substances from chemical group 30 evaluated by EFSA in FGE.21 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf

Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30
View page or View pdf

Flavouring Group Evaluation 93 (FGE.93): Consideration of sulphur heterocyclic evaluated by JECFA (68th meeting) structurally related to thiazoles, thiophene, thiazoline and thienyl evaluated by EFSA in FGE.21Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 2 (FGE.21Rev2): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29. Miscellaneous substances from chemical group 30.
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Statement on List of Representative Substances for Testing. The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000).
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):88-15-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :6920
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2810
WGK Germany:3
1-thiophen-2-ylethanone
Chemidplus:0000088153
RTECS:OB6300000 for cas# 88-15-3
 
References:
 1-thiophen-2-ylethanone
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:88-15-3
Pubchem (cid):6920
Pubchem (sid):134972021
Flavornet:88-15-3
 
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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB33133
FooDB:FDB011134
YMDB (Yeast Metabolome Database):YMDB01431
Export Tariff Code:2934.99.9000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
camphoreous
butyrophenone
FL/FR
chocolate
2-
methoxy-3-methyl pyrazine
FL/FR
nutty
2-
methyl-3-pentenoic acid
FL/FR
For Flavor
No flavor group found for these
butyrophenone
FL/FR
2-
methyl-3-pentenoic acid
FL/FR
pyrazinyl methyl sulfide
FL
alliaceous
alliaceous
3-
mercapto-2-pentanone
FL
bitter
methyl ethoxypyrazine
FL
malty
hordeum vulgare extract (cereal grass)
FL
nutty
2,5-
diethyl-3-methyl pyrazine
FL
2-
methoxy-3-methyl pyrazine
FL/FR
 
Potential Uses:
FLbeef roasted beef
FLbread
FRcoffee
FLpork
FLvegetable
 velvety
 
Occurrence (nature, food, other):note
 asparagus - trace amount
Search Trop Picture
 beef
Search PMC Picture
 bread
Search PMC Picture
 coffee - up to 1.25 mg/kg
Search PMC Picture
 kohlrabi - 0.02 mg/kg
Search Trop Picture
 kohlrabi stem
Search Trop Picture
 pork grilled, roasted pork - up to 0.00002 mg/kg
Search PMC Picture
 vegetables
Search Picture
 
Synonyms:
2-aceto thiophene
2-acetothienone
2-acetothiophene
alpha-acetyl thiophene
2-acetylthiophene
 ethanone, 1- (2-thienyl)-
 ethanone, 1-(2-thienyl)-
 ketone, methyl 2-thienyl
 methyl 2-thienyl ketone
 methyl-2-thienyl ketone
2-thienyl methyl ketone
1-(2-thienyl) ethanone
1-(2-thienyl)-ethanone
1-(2-thienyl)ethan-1-one
1-(2-thienyl)ethanone
1-thiophen-2-yl-ethanone
1-(thiophen-2-yl)-ethanone
1-(thiophen-2-yl)ethan-1-one
1-(thiophen-2-yl)ethanone
1-thiophen-2-ylethanone
 

Articles:

US Patents:3,952,024 - Furfurylthioacetone
PubMed:Domino Synthetic Strategy for Tetrahydrothiopyran Derivatives from Benzaldehydes, 2-Acetylfuran/2-Acetylthiophene, and Sodium Sulfide
US Patents:Certain 2,5-dimethyl-3-thiopyrazines
US Patents:Flavoring agent
PubMed:Platinum and palladium complexes of thiosemicarbazones derived of 2-acetylthiophene: Synthesis and spectral studies
PubMed:Dual inhibition of cyclooxygenase and lipoxygenase by 2-acetylthiophene 2-thiazolylhydrazone (CBS-1108) and effect on leukocyte migration in vivo
PubMed:DFT study of the interactions between thiophene-based corrosion inhibitors and an Fe(4) cluster
PubMed:Cytotoxic and apoptotic effects of chalcone derivatives of 2-acetyl thiophene on human colon adenocarcinoma cells
PubMed:Psychomotor Seizure Screening and in vitro Neuroprotection Assay of Hydrazones Derived from 2-Acetyl Thiophene
PubMed:Synthesis and evaluation of novel substituted 1,2,3-triazolyldihydroquinolines as promising antitubercular agents
PubMed:Apoptotic effect of chalcone derivatives of 2-acetylthiophene in human breast cancer cells
PubMed:New terpenoids and thiophene derivatives from the aerial parts of Artemisia sieversiana
PubMed:Microwave Irradiation Syntheses and Crystal Structures of Two Series of Novel Fivemembered Heterocyclic Mono-Imine Compounds
PubMed:Synthesis, mol-ecular and crystal structure of 1-(1,2-di-hydro-phthalazin-1-yl-idene)-2-[1-(thio-phen-2-yl)ethyl-idene]hydrazine
PubMed:Antimicrobial Activity of Some Novel Armed Thiophene Derivatives and Petra/Osiris/Molinspiration (POM) Analyses
PubMed:Synthesis and anti-inflammatory evaluation of new substituted 1-(3-chlorophenyl)-3-(4-methoxyphenyl)-1H-pyrazole derivatives
PubMed:Synthesis, antitumor and antimicrobial activities of 4-(4-chlorophenyl)-3-cyano-2-(?-O-glycosyloxy)-6-(thien-2-yl)-nicotinonitrile
PubMed:Thiosemicarbazone derivatives of nickel and copper: the unprecedented coordination of furan ring in octahedral nickel(II) and of triphenylphosphine in three-coordinate copper(I) complexes
PubMed:Synthesis of novel morpholine, thiomorpholine and N-substituted piperazine coupled 2-(thiophen-2-yl)dihydroquinolines as potent inhibitors of Mycobacterium tuberculosis
PubMed:Differential oxidation of two thiophene-containing regioisomers to reactive metabolites by cytochrome P450 2C9
PubMed:Design and environmentally benign synthesis of novel thiophene appended pyrazole analogues as anti-inflammatory and radical scavenging agents: Crystallographic, in silico modeling, docking and SAR charact
PubMed:A new facile approach to the synthesis of 3-methylthio-substituted furans, pyrroles, thiophenes, and related derivatives
PubMed:Synthesis of 4-(2-substituted hydrazinyl)benzenesulfonamides and their carbonic anhydrase inhibitory effects
PubMed:Metal complexes driven from Schiff bases and semicarbazones forÿbiomedical and allied applications: a review
PubMed:Synthesis of some Mannich bases with dimethylamine and their hydrazones and evaluation of their cytotoxicity against Jurkat cells
PubMed:Condensed-phase relative Gibbs free energy and E/Z descriptors for 2-acetylthiophene and 2-acetylthiophene-N1-phenyl thiosemicarbazones
PubMed:Synthesis of 1-Aryl-3-phenethylamino-1-propanone hydrochlorides as possible potent cytotoxic agents
PubMed:Anti-inflammatory activity of a dual inhibitor of cyclooxygenase and lipoxygenase pathways, CBS-1108 (2-acetylthiophene-2-thiazolylhydrazone)
PubMed:Synthesis, preclinical evaluation and antidepressant activity of 5-substituted phenyl-3-(thiophen-2-yl)-4, 5-dihydro-1H-pyrazole-1-carbothioamides
PubMed:Solvent effects on infrared spectra of 2-acetylthiophene in organic solvents
PubMed:Synthesis of Pyrimidine Incorporated Piperazine Derivatives and their Antimicrobial Activity
PubMed:Infrared study on solvent-solute interactions of 2-acetylthiophene in binary mixtures
PubMed:Rapid detection and characterization of minor reactive metabolites using stable-isotope trapping in combination with tandem mass spectrometry
PubMed:Synthesis and antifungal evaluation of 1-aryl-2-dimethyl- aminomethyl-2-propen-1-one hydrochlorides
PubMed:Investigation of anion-ã interactions involving thiophene walls incorporated calix[4]pyrroles
PubMed:Thermochemistry of 2- and 3-acetylthiophenes: calorimetric and computational study
PubMed:Synthesis, characterization, electro chemistry, catalytic and biological activities of ruthenium(III) complexes with bidentate N, O/S donor ligands
PubMed:Interactions of flavor compounds with pectic substances
PubMed:Cobalt(II) selective membrane electrode based on palladium(II) dichloro acetylthiophene fenchone azine
PubMed:Generation of a structurally diverse library through alkylation and ring closure reactions using 3-dimethylamino-1-(thiophen-2-yl)propan-1-one hydrochloride
PubMed:Some 2-acetylthiophene derivatives and related acetophenone analogs
PubMed:High-performance liquid chromatographic method for the simultaneous estimation of the key intermediates of duloxetine
PubMed:Conformational preferences for some 5-substituted 2-acetylthiophenes through infrared spectroscopy and theoretical calculations
PubMed:Novel benzenesulfonylureas containing thiophenylpyrazoline moiety as potential antidiabetic and anticancer agents
PubMed:Mn(II) and Cu(II) complexes of a bidentate Schiff's base ligand: spectral, thermal, molecular modelling and mycological studies
 
Notes:
Organoleptic which contributes to several aromas
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