3-methyl thiophene
thiophene, 3-methyl-
Identification
| Name | 3-methyl thiophene |
| IUPAC | 3-methylthiophene |
| CAS Number | 616-44-4 |
| EINECS | 210-482-6 |
| FDA UNII | FK9ID0X5QV |
| Molecular Formula | C5 H6 S |
| Molecular Weight | 98.16782000 |
| MDL Number | MFCD00005470 |
| Nikkaji Number | J37.034G |
| Beilstein | 0001300 |
| CoE Number | 11632 |
| XlogP3 | 2.30 (est) |
Regulatory
| DG SANTE Food Flavourings | 15.092 3-methylthiophene |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.01800 to 1.02400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.471 to 8.521 |
| Refractive Index | 1.51400 to 1.52000 @ 20.00 °C. |
| Melting Point | -69.00 °C. @ 760.00 mm Hg |
| Boiling Point | 115.00 °C. @ 760.00 mm Hg, 114.00 °C. @ 738.00 mm Hg |
| Vapor Pressure | 23.782000 mmHg @ 25.00 °C. (est) |
| Flash Point | 52.00 °F. TCC ( 11.11 °C. ) |
| logP (o/w) | 2.340 |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Taste Description | fatty winey |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | unreported-mammal (species unspecified) LD50 1600 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-mammal (species unspecified) LC50 18000 mg/m3 |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for 3-methyl thiophene usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 78 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| Dairy products, excluding products of category 02.0 (01.0) | 0.20000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.10000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.20000 |
| Processed fruit (04.1) | 0.20000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 0.20000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.10000 |
| Bakery wares (07.0) | 0.20000 |
| Meat and meat products, including poultry and game (08.0) | 0.10000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.10000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.10000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.20000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.10000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.20000 |
| Ready-to-eat savouries (15.0) | 0.40000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.10000 |
Beijing Lys Chemicals Co, LTD.
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Fine chemical high-tech company which contains R&D, production, and sales.
Penta International Corporation
Chemistry innovation
At Penta, our products and services help businesses do business better.
WholeChem, LLC
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Custom manufacturer and distributor of specialty ingredients. We make global local.
Potential Uses
Natural Occurrence
Synonyms
beta-
methyl thiophene
3-
methylthiophene
thiophene, 3-methyl-
3-
thiotolene
US Patents:
3,931,166 - Certain 2,5-dimethyl-3-thiopyrazines
PubMed:
Electro-responsively reversible transition of polythiophene films from superhydrophobicity to superhydrophilicity.
PubMed:
Red, green, blue (RGB) electrochromic fibers for the new smart color change fabrics.
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:
Construction and performance characteristics of polymeric membrane electrode and coated graphite electrode for the selective determination of Fe³⺠ion.
PubMed:
Theoretical study of torsional disorder in poly(3-alkylthiophene) single chains: intramolecular charge-transfer character and implications for photovoltaic properties.
PubMed:
Bioelectrocatalytic O(2) reduction with a laccase-bearing poly(3-methylthiophene) film based on direct electron transfer from the polymer to laccase.
PubMed:
Poly(3-methylthiophene)/graphene composite: in-situ synthesis and its electrochemical characterization.
PubMed:
Surface-initiated poly(3-methylthiophene) as a hole-transport layer for polymer solar cells with high performance.
PubMed:
Synthesis and evaluation of in vitro bioactivity for vesicular acetylcholine transporter inhibitors containing two carbonyl groups.
PubMed:
Development of novel molecularly imprinted solid-phase microextraction fibers and their application for the determination of antibiotic drugs in biological samples by SPME-LC/MS(n).
PubMed:
Site-controlled application of electric potential on a conducting polymer "canvas".
PubMed:
Surface-initiated synthesis of poly(3-methylthiophene) from indium tin oxide and its electrochemical properties.
PubMed:
Effects of ultraviolet light and ultrasound on microbial quality and aroma-active components of milk.
PubMed:
Electrochemically selective determination of dopamine in the presence of ascorbic and uric acids on the surface of the modified Nafion/single wall carbon nanotube/poly(3-methylthiophene) glassy carbon electrodes.
PubMed:
Surface-confined nickel mediated cross-coupling reactions: characterization of initiator environment in Kumada catalyst-transfer polycondensation.
PubMed:
Poly(3-alkylthiophenes): new sorption materials for solid phase microextraction of drugs isolated from human plasma.
PubMed:
Effects of lard on the formation of volatiles from the Maillard reaction of cysteine with xylose.
PubMed:
Gradient doping of conducting polymer films by means of bipolar electrochemistry.
PubMed:
DNA detection using a light-emitting polymer single nanowire.
PubMed:
Pyrolysis mechanisms of thiophene and methylthiophene in asphaltenes.
PubMed:
A protecting group-free synthesis of deazathiamine: a step toward inhibitor design.
PubMed:
Reduction and oxidation doping kinetics of an electropolymerized donor-acceptor low-bandgap conjugated copolymer.
PubMed:
Light-emitting color barcode nanowires using polymers: nanoscale optical characteristics.
PubMed:
Investigation of the aroma-active compounds formed in the maillard reaction between glutathione and reducing sugars.
PubMed:
Poly(3-methylthiophene)/palladium sub-micro-modified sensor electrode. Part II: Voltammetric and EIS studies, and analysis of catecholamine neurotransmitters, ascorbic acid and acetaminophen.
PubMed:
Photoluminescence characteristics for hybrid nanotubes of light emitting poly(3-methylthiophene) coated with copper: fluorescence effect.
PubMed:
In situ ESR/UV-vis-NIR and ATR-FTIR spectroelectrochemical studies on the p-doping of copolymers of 3-methylthiophene and 3-hexylthiophene.
PubMed:
Prediction of sensory properties of Brazilian Arabica roasted coffees by headspace solid phase microextraction-gas chromatography and partial least squares.
PubMed:
Sensitive determination of dopamine and uric acid by the use of a glassy carbon electrode modified with poly(3-methylthiophene)/gold nanoparticle composites.
PubMed:
Voltammetric determination of trace mercury at a sonogel-carbon electrode modified with poly-3-methylthiophene.
PubMed:
Voltammetric detection of sulfonamides at a poly(3-methylthiophene) electrode.
PubMed:
Conducting polymer ion sensor electrodes-III. Potentiometric sulfide ion selective electrode.
PubMed:
Investigation and comparison of the electrochemical behavior of some organic and biological molecules at various conducting polymer electrodes.
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:
Development of potential manufacturing routes for substituted thiophenes--preparation of halogenated 2-thiophenecarboxylic acid derivatives as building blocks for a new family of 2,6-dihaloaryl 1,2,4-triazole insecticides.
PubMed:
[Determination and distribution of sulfur compounds in coked gasoline by gas chromatography-sulfur chemiluminescence detection].
PubMed:
Highly selective 5-substitution of 3-methylthiophene via directed lithiation.
PubMed:
DNA minor-groove recognition by 3-methylthiophene/pyrrole pair.
PubMed:
Electrochemistry of conductive polymers 39. Contacts between conducting polymers and noble metal nanoparticles studied by current-sensing atomic force microscopy.
PubMed:
Development of a novel environmentally friendly electropolymerization of water-insoluble monomers in aqueous electrolytes using acoustic emulsification.
PubMed:
Microbial imprinted polypyrrole/poly(3-methylthiophene) composite films for the detection of Bacillus endospores.
PubMed:
3-methylthiophene self-assembled monolayers on planar and nanoparticle Au surfaces.
PubMed:
Electrochemical performance of 8-hydroxy-2'-deoxyguanosine and its detection at poly(3-methylthiophene) modified glassy carbon electrode.
PubMed:
Highly selective and sensitive determination of dopamine using a Nafion/carbon nanotubes coated poly(3-methylthiophene) modified electrode.
PubMed:
A novel electrochemical synthesis of poly-3-methylthiophene-gamma-cyclodextrin film Application for the analysis of chlorpromazine and some neurotransmitters.
PubMed:
[Determination of sulfur compounds in fluid catalytic cracking gasoline by gas chromatography with a sulfur chemiluminescence detector].
PubMed:
Electrochemically deposited poly(3-methylthiophene) performance in single layer photovoltaic devices.
PubMed:
Solid-state supramolecular organization, established directly from powder diffraction data, and photoluminescence efficiency of rigid-core oligothiophene-S,S-dioxides.
PubMed:
All-solid-state calcium solvent polymeric membrane electrode for low-level concentration measurements.
PubMed:
Isolation and characterization of thermophilic benzothiophene-degrading Mycobacterium sp.
PubMed:
Polymer modified electrodes for the reversible oxidation-reduction of NAD+/NADH for use within amperometric biosensors.
PubMed:
The problem of uniqueness of fit for viscoelastic films on thickness-shear mode resonator surfaces.
PubMed:
Determination of sulphur compounds in beer using headspace solid-phase microextraction and gas chromatographic analysis with pulsed flame photometric detection.
PubMed:
Surface Enhanced Raman Spectroscopic Study of Isomeric Methylthiophenes in Silver Colloid.
PubMed:
Potentiometric response of conducting polymer electrodes for oxygen in neutral aqueous solutions.
PubMed:
Thermal-history-dependent transition in pressed pellets of ClO4--doped poly(3-methylthiophene).
PubMed:
Fabrication of conducting polymer interconnects.
PubMed:
Potentiometric response of poly(3-octylthiophene), poly(3-methylthiophene) and polythiophene in aqueous solutions.
PubMed:
Electrochemistry and detection of some organic and biological molecules at conducting poly(3-methylthiophene) electrodes.
PubMed:
Highly stable voltammetric measurements of phenolic compounds at poly(3-methylthiophene)-coated glassy carbon electrodes.
PubMed:
Bipolarons in poly(3-methylthiophene): Spectroscopic, magnetic, and electrochemical measurements.
PubMed:
Evolution upon doping of the pi and sigma bands of poly-(3-methylthiophene) grafted on Pt electrodes as studied by near-edge x-ray-absorption fine-structure spectroscopy.
PubMed:
Evidence of intrinsic extended pi -bonding band and metalliclike behavior in undoped and doped electropolymerized poly(3-methylthiophene) films.
PubMed:
Toxicity-distribution relationships among 3-alkylfurans in mouse liver and kidney.
PubMed:
Toxicity-distribution relationships among 3-alkylfurans in the mouse lung.
PubMed:
Metal substitutions incarbonic anhydrase: a halide ion probe study.