Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
Appearance: | colorless to pale yellow clear liquid (est) |
Assay: | 98.00 to 100.00 %
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Food Chemicals Codex Listed: | No |
Specific Gravity: | 1.16400 to 1.17100 @ 25.00 °C.
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Pounds per Gallon - (est).: | 9.686 to 9.744
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Refractive Index: | 1.56300 to 1.56900 @ 20.00 °C.
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Melting Point: | 34.00 °C. @ 760.00 mm Hg
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Boiling Point: | 213.00 °C. @ 760.00 mm Hg
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Vapor Pressure: | 0.172000 mmHg @ 25.00 °C. (est) |
Flash Point: | 204.00 °F. TCC ( 95.56 °C. )
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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:
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Odor Type: sulfurous |
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| sulfurous nutty hazelnut walnut |
Odor Description: at 100.00 %. | sulfurous nutty hazelnut walnut |
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Flavor Type: onion |
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| onion malty roasted |
Taste Description:
| onion, malty, roasted |
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Odor and/or flavor descriptions from others (if found). |
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Cosmetic Information:
Suppliers:
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.
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Hazards identification |
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Classification of the substance or mixture |
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) |
None found. |
GHS Label elements, including precautionary statements |
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Pictogram | |
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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
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Dermal Toxicity: |
Not determined
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Inhalation Toxicity: |
Not determined
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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 |
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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 |
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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/kg | maximum usage mg/kg |
Dairy products, excluding products of category 02.0 (01.0): | 0.20000 | 1.00000 |
Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 |
Edible ices, including sherbet and sorbet (03.0): | 0.20000 | 1.00000 |
Processed fruit (04.1): | 0.20000 | 1.00000 |
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
Confectionery (05.0): | 0.20000 | 1.00000 |
Chewing gum (05.0): | - | - |
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.10000 | 0.50000 |
Bakery wares (07.0): | 0.20000 | 1.00000 |
Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.20000 |
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.20000 |
Eggs and egg products (10.0): | - | - |
Sweeteners, including honey (11.0): | - | - |
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 |
Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 |
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.50000 |
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 |
Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 |
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.10000 | 0.50000 |
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:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
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 |
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