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Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.01300 to 1.02200 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 8.429 to 8.504
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| Refractive Index: | 1.51600 to 1.52300 @ 20.00 °C.
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| Melting Point: | -63.00 °C. @ 760.00 mm Hg
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| Boiling Point: | 112.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 30.964001 mmHg @ 25.00 °C. (est) |
| Flash Point: | 59.00 °F. TCC ( 15.00 °C. )
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| logP (o/w): | 2.330 |
| Soluble in: |
| | water, 112.6 mg/L @ 25 °C (exp) | | | water, 1212 mg/L @ 25 °C (est) |
Organoleptic Properties:
Cosmetic Information:
Suppliers:
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xn - Harmful. |
R 11 - Highly flammable.
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
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-rat LD50 1000 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.
unreported-mammal (species unspecified) LD50 1260 mg/kg
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(5), Pg. 61, 1986.
oral-mouse LD50 1460 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.
oral-rat LD50 3200 mg/kg
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
inhalation-mouse LC50 11500 mg/m3/2H
"Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982.
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Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for 2-methyl thiophene usage levels up to: | | | not for fragrance use.
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.019 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 78 (μg/person/day) |
| Threshold of Concern: | 540 (μg/person/day) |
| Structure Class: | II |
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). |
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library |
| publication number: 29 |
| Click here to view publication 29 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.30000 | 10.00000 |
| beverages(nonalcoholic): | 0.10000 | 5.00000 |
| beverages(alcoholic): | 0.10000 | 5.00000 |
| breakfast cereal: | 0.30000 | 10.00000 |
| cheese: | 0.10000 | 5.00000 |
| chewing gum: | 0.10000 | 5.00000 |
| condiments / relishes: | 0.10000 | 5.00000 |
| confectionery froastings: | 0.30000 | 10.00000 |
| egg products: | 0.10000 | 5.00000 |
| fats / oils: | 0.10000 | 5.00000 |
| fish products: | 0.10000 | 5.00000 |
| frozen dairy: | 0.10000 | 5.00000 |
| fruit ices: | 0.10000 | 5.00000 |
| gelatins / puddings: | 0.10000 | 5.00000 |
| granulated sugar: | - | - |
| gravies: | 0.10000 | 5.00000 |
| hard candy: | 0.30000 | 10.00000 |
| imitation dairy: | 0.30000 | 10.00000 |
| instant coffee / tea: | 0.10000 | 5.00000 |
| jams / jellies: | 0.10000 | 5.00000 |
| meat products: | 0.10000 | 5.00000 |
| milk products: | 0.10000 | 5.00000 |
| nut products: | 0.10000 | 5.00000 |
| other grains: | 0.10000 | 5.00000 |
| poultry: | 0.10000 | 5.00000 |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 0.10000 | 5.00000 |
| snack foods: | 0.30000 | 10.00000 |
| soft candy: | 0.30000 | 10.00000 |
| soups: | 0.10000 | 5.00000 |
| sugar substitutes: | - | - |
| sweet sauces: | 0.10000 | 5.00000 |
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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 (05.3): | - | - |
| 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): | 0.20000 | 1.00000 |
| 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...
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European Food Safety Authority (EFSA) reference(s):
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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
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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
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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
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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
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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
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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
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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
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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
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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
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| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):554-14-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11126 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:3 |
| 2-methylthiophene |
| Chemidplus:0000554143 |
| RTECS:XM9625000 for cas# 554-14-3 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| alpha- | methyl thiophene | | 2- | methylthiophene | | | thiophene, 2-methyl- |
Articles:
| US Patents:3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines |
| PubMed:High-intensity ultrasound production of Maillard reaction flavor compounds in a cysteine-xylose model system. |
| PubMed:Mixed-metal chalcogenide tetrahedral clusters with an exo-polyhedral metal fragment. |
| PubMed:Green synthesis and anti-inflammatory studies of a series of 1,1-bis(heteroaryl)alkane derivatives. |
| PubMed:Product ion distributions for the reactions of NO(+) with some physiologically significant volatile organosulfur and organoselenium compounds obtained using a selective reagent ionization time-of-flight mass spectrometer. |
| PubMed:Structural, spectroscopic, and electrochemical properties of tri- and tetradentate N3 and N3S copper complexes with mixed benzimidazole/thioether donors. |
| PubMed:Mechanisms for the reaction of thiophene and methylthiophene with singlet and triplet molecular oxygen. |
| PubMed:A mechanistic study of the 2-thienylmethyl + HO2 radical recombination reaction. |
| PubMed:Metabolomic approach for determination of key volatile compounds related to beef flavor in glutathione-Maillard reaction products. |
| PubMed:Practical preparation of ethyl 2-methylthiophene-3-carboxylate. |
| PubMed:Effects of lard on the formation of volatiles from the Maillard reaction of cysteine with xylose. |
| PubMed:RuCl₃·3H₂O catalyzed reactions: facile synthesis of bis(indolyl)methanes under mild conditions. |
| PubMed:Pyrolysis mechanisms of thiophene and methylthiophene in asphaltenes. |
| PubMed:On-line measurement of oxidative degradation kinetics for trace gasoline contaminants in aqueous solutions and natural water by membrane introduction tandem mass spectrometry. |
| PubMed:Biodesulfurization of dibenzothiophene by a newly isolated Rhodococcus erythropolis strain. |
| PubMed:Diastereoselective domino reactions of chiral 2-substituted 1-(2',2',3',3'-tetramethylcyclopropyl)-alkan-1-ols under Friedel-Crafts conditions. |
| PubMed:A computational study of photochemical isomerization reactions of thiophenes. |
| PubMed:Selectivity in the oxidative addition of C-S bonds of substituted thiophenes to the (C5Me5)Rh(PMe3) fragment: a comparison of theory with experiment. |
| PubMed:Highly diastereoselective Friedel-Crafts alkylation reactions via chiral alpha-functionalized benzylic carbocations. |
| PubMed:[Determination and distribution of sulfur compounds in coked gasoline by gas chromatography-sulfur chemiluminescence detection]. |
| PubMed:Aquasonolysis of thiophene and its derivatives. |
| PubMed:[Determination of sulfur compounds in fluid catalytic cracking gasoline by gas chromatography with a sulfur chemiluminescence detector]. |
| PubMed:Aroma extract dilution analysis of Cv. Marion (Rubus spp. hyb) and Cv. Evergreen (R. laciniatus L.) blackberries. |
| PubMed:Thiophenes as traps for benzyne. 3. Diaryl sulfides and the role of dipolar intermediates. |
| PubMed:One-pot synthesis of C-glycosylic compounds (C-glycosides) from D-glucal, p-tolylsulfenyl chloride and aromatic/heteroaromatic compounds in the presence of Lewis acids. |
| PubMed:Lewis Acid Catalysis in the Oxidative Cycloaddition of Thiophenes(1). |
| PubMed:Antioxidative activities of heterocyclic compounds formed in brewed coffee. |
| PubMed:Surface Enhanced Raman Spectroscopic Study of Isomeric Methylthiophenes in Silver Colloid. |
| PubMed:Fabrication of conducting polymer interconnects. |
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3D/inchi