Articles:
2-hexylthiophene
Notes:
Used as a food additive [EAFUS]
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 18794-77-9 2-n-Hexylthiophene
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Endeavour Specialty Chemicals Ltd Expertise in high impact aroma chemicals Endeavour Speciality Chemicals offers high-impact aroma chemicals, at small to medium scale. Speciality Chemical has more than 25 years experience of manufacturing high-impact aroma chemicals. With our core expertise in sulfur and heterocyclic chemistries, Endeavours products have applications in a range of industry sectors including flavours and fragrances, pharmaceutical research and material sciences. Endeavour also offer custom synthesis and contract manufacturing services at their UK manufacturing site. Email: Info Email: Sales Voice: +44 (0)1327 310 079 Fax: +44 (0)1327 310 701 Twitter Linkedin News Speciality Chemical Product Groups Product(s): TP0090 2-Hexylthiophene 99% F&F
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FRUTAROM USA INC, Flavor & Specialty Ingredients Your preferred partner for flavour and fragrance success. Our broad and diverse product portfolio is designed to provide and cater for every flavor and taste profile required by our customer base and incorporates historic, and iconic, market leading products. Email: Info US Email: Info- USA Email: Sales Voice: +44 (0) 1429 863 222 CBD Offering Products List: View Product(s): 441H185000 2-HEXYLTHIOPHENE KOSHER
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 08-44200 2-HEXYLTHIOPHENE
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Robinson Brothers Limited Providing Excellence in Chemistry Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Based in the UK, Robinson Brothers is an award-winning chemical manufacturer of chemical intermediates and high-impact aroma chemicals. Robinson Brothers serve many industry sectors across the globe, include: flavour/fragrance, pharmaceutical, agrochemical and material sciences. Our team of Chemists are experts in custom synthesis, contract manufacture and process optimisation. Email: Info Email: Sales Voice: +44 (0)121 553 2451 Fax: +44 (0)121 500 5183 Twitter Linkedin News And Exhibitions Custom Synthesis Industries And Applications https://www.robinsonbrothers.uk/chemistry-competences Products List: View Product(s): TP0090 2-Hexylthiophene F&F
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W01748 2-Hexylthiophene
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): 2-Hexylthiophene
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): H1350 2-Hexylthiophene >98.0%(GC) SDS
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): 2-Hexylthiophene Halal, Kosher
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| CAS Number: | 18794-77-9 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 242-579-4 | |
| FDA UNII: | 82479467Q1 | |
| Nikkaji Web: | J47.701J | |
| MDL: | MFCD00022535 | |
| CoE Number: | 11616 | |
| XlogP3-AA: | 4.40 (est) | |
| Molecular Weight: | 168.30252000 | |
| Formula: | C10 H16 S | |
| NMR Predictor: | Predict (works with chrome, Edge 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 |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1764 2-hexylthiophene |
| DG SANTE Food Flavourings: | 15.076 2-hexylthiophene |
| FEMA Number: | 4137 2-hexylthiophene |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 18794-77-9 ; 2-HEXYLTHIOPHENE |
Physical Properties:
| Appearance: | colorless to pale yellow liquid to solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93000 to 0.93800 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.748 to 7.814 |
| Refractive Index: | 1.49200 to 1.49800 @ 20.00 °C. |
| Melting Point: | 41.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 229.00 to 230.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.155000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.7 ( Air = 1 ) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 4.791 (est) |
| Soluble in: | |
| alcohol | |
| water, 4.831 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| floral fruity gassy green meaty | |
| Odor Description: at 0.10 % in dipropylene glycol. | floral fruity gassy green meaty |
| Odor and/or flavor descriptions from others (if found). | |
| R C Treatt & Co Ltd | |
| 2-Hexylthiophene Halal, Kosher | |
| Odor Description: | Mild oily, somewhat sulphurous;fried character,on dilution |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2-n-Hexylthiophene |
| Endeavour Specialty Chemicals |
| 2-Hexylthiophene 99% F&F |
| Speciality Chemical Product Groups |
| Frutarom |
| 2-HEXYLTHIOPHENE
KOSHER Flavor: Meaty, Floral, Fruity, Sulfurous, Gassy |
| CBD Offering |
| IFF |
| 2-HEXYLTHIOPHENE
KOSHER Flavor: Meaty, Floral, Fruity, Sulfurous, Gassy |
| Penta International |
| 2-HEXYLTHIOPHENE |
| R C Treatt & Co Ltd |
| 2-Hexylthiophene
Halal, Kosher Odor: Mild oily, somewhat sulphurous;fried character,on dilution |
| Robinson Brothers |
| 2-Hexylthiophene F&F |
| https://www.robinsonbrothers.uk/chemistry-competences |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2-Hexylthiophene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2-Hexylthiophene 97% |
| Synerzine |
| 2-Hexylthiophene |
| Taytonn ASCC |
| 2-Hexylthiophene
Odor: Floral, Fruity, Gassy, Green, Meaty |
| TCI AMERICA |
| For experimental / research use only. |
| 2-Hexylthiophene >98.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. 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. | |
| 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 | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 2-hexyl thiophene usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.46 (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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.20000 | 0.20000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.50000 | 0.50000 | |
| confectionery froastings: | - | - | |
| egg products: | 1.00000 | 1.00000 | |
| fats / oils: | 0.20000 | 0.20000 | |
| fish products: | 1.00000 | 1.00000 | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 1.00000 | 1.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 1.00000 | 1.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | 1.00000 | 1.00000 | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 250.00000 | 250.00000 | |
| snack foods: | 0.20000 | 0.20000 | |
| soft candy: | - | - | |
| soups: | 1.00000 | 1.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | 0.20000 | 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... |
| 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 87793 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 2-hexylthiophene | |
| Chemidplus: | 0018794779 |
References:
| 2-hexylthiophene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 18794-77-9 |
| Pubchem (cid): | 87793 |
| Pubchem (sid): | 135044354 |
| Pherobase: | View |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB32329 |
| FooDB: | FDB009582 |
| Export Tariff Code: | 2934.99.4400 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| fatty | ||
| fatty | ||
| (Z)- | oleic acid | FL/FR |
| fried | ||
| (E,Z)-2,4- | decadienal | |
| fruity | ||
| tropical trithiane | FL/FR | |
| green | ||
| (Z)-4- | heptenal | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| (E,Z)-2,4- | decadienal | |
| alliaceous | ||
| allyl disulfide | FL | |
| allyl thiopropionate | FL | |
| cabbage | ||
| methyl 2-thiofuroate | FL | |
| fatty | ||
| (Z)- | oleic acid | FL/FR |
| 2- | pentyl thiophene | FL |
| fruity | ||
| tropical trithiane | FL/FR | |
| green | ||
| (Z)-4- | heptenal | FL/FR |
| sulfurous | ||
| 2- | naphthyl mercaptan | FL |
Potential Uses:
| celery | FR | |
| chicken | FL | |
| cranberry | FL | |
| cucumber | FL | |
| green | FL | |
| seafood | FL |
Occurrence (nature, food, other): note
| beef roasted beef Search PMC Picture | |
| cranberry fruit Search Trop Picture | |
| guinea hen - up to 0.002 mg/kg Search PMC Picture | |
| lamb cooked lamb Search PMC Picture | |
| mushroom Search PMC Picture | |
| turkey roasted turkey Search Picture |
Synonyms:
| 2- | hexylthiophene |
| 2-N- | hexylthiophene |
| thiophene, 2-hexyl- |