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1,3-dithiolane, 2-methyl-
Notes:
Maillard product from cysteine and glucose degradation. Flavouring ingredient; present in boiled beef volatiles
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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): 5616-51-3 2-Methyl-1,3-dithiolane
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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): SH0020 2-Methyl-1,3-dithiolane 97% F&F
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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): 13-40550 2-METHYL-1,3-DITHIOLANE
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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): SH0020 2-Methyl-1,3-dithiolane 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): W1436 2-METHYL-1,3-DITHIOLANE
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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-Methyl-1,3-dithiolane
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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-Methyl-1,3-dithiolane Halal, Kosher
Used in snack foods at 3ppm; meat, cheese, and bakery products at 0.5ppm; and sauces, cereals and nut products at 0.1ppm; and in instant tea and coffee at 0.05ppm. Solubility: insoluble in water, and slightly soluble in fat.
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| CAS Number: | 5616-51-3 |  3D/inchi
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| ECHA EINECS - REACH Pre-Reg: | 227-038-2 | |
| FDA UNII: | 4O81R0SPR0 | |
| Nikkaji Web: | J91.174G | |
| MDL: | MFCD01729666 | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 120.23776000 | |
| Formula: | C4 H8 S2 | |
| BioActivity Summary: | listing | |
| 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: | 534 2-methyl-1,3-dithiolane |
| DG SANTE Food Flavourings: | 15.034 2-methyl-1,3-dithiolane |
| FEMA Number: | 3705 2-methyl-1,3-dithiolane |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 5616-51-3 ; 2-METHYL-1,3-DITHIOLANE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 96.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.14700 to 1.15700 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 9.555 to 9.639 |
| Refractive Index: | 1.55900 to 1.56900 @ 20.00 °C. |
| Boiling Point: | 65.00 °C. @ 10.00 mm Hg |
| Vapor Pressure: | 1.578000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 111.00 °F. TCC ( 43.89 °C. ) |
| logP (o/w): | 1.090 (est) |
| Soluble in: | |
| alcohol | |
| fats, slightly | |
| water, 1600 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous alliaceous smoky savory vegetable | |
| Odor Description: at 0.10 % in propylene glycol. | sulfurous alliaceous smoky savory vegetable |
| Flavor Type: onion | |
| cooked roasted onion onion cooked onion | |
| Taste Description: | cooked roasted onion |
| Odor and/or flavor descriptions from others (if found). | |
| R C Treatt & Co Ltd | |
| 2-Methyl-1,3-dithiolane Halal, Kosher | |
| Odor Description: | burnt alliaceous |
| Taste Description: | alliaceous Used in snack foods at 3ppm; meat, cheese, and bakery products at 0.5ppm; and sauces, cereals and nut products at 0.1ppm; and in instant tea and coffee at 0.05ppm. Solubility: insoluble in water, and slightly soluble in fat. |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2-Methyl-1,3-dithiolane |
| Carbosynth |
| For experimental / research use only. |
| 2-Methyl-1,3-dithiolane |
| Endeavour Specialty Chemicals |
| 2-Methyl-1,3-dithiolane 97% F&F |
| Speciality Chemical Product Groups |
| Penta International |
| 2-METHYL-1,3-DITHIOLANE |
| R C Treatt & Co Ltd |
| 2-Methyl-1,3-dithiolane
Halal, Kosher Odor: burnt alliaceous Flavor: alliaceous Used in snack foods at 3ppm; meat, cheese, and bakery products at 0.5ppm; and sauces, cereals and nut products at 0.1ppm; and in instant tea and coffee at 0.05ppm. Solubility: insoluble in water, and slightly soluble in fat. |
| Robinson Brothers |
| 2-Methyl-1,3-dithiolane F&F |
| https://www.robinsonbrothers.uk/chemistry-competences |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 2-Methyl-1,3-dithiolane |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2-Methyl-1,3-dithiolane |
| Synerzine |
| 2-METHYL-1,3-DITHIOLANE |
| Taytonn ASCC |
| 2-Methyl-1,3-dithiolane
Odor: Alliaceous, Burnt |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 10 - Flammable. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 37/39 - Wear suitable 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: | |
|
gavage-rabbit LD50 [sex: M,F] 1610 mg/kg (Griffiths et al., 1979) intraperitoneal-mouse LD50 900 mg/kg European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for 2-methyl-1,3-dithiolane usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.50000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 0.10000 | |
| cheese: | - | 0.50000 | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.05000 | |
| confectionery froastings: | - | - | |
| egg products: | - | 0.20000 | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 0.10000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | 0.05000 | |
| jams / jellies: | - | - | |
| meat products: | - | 0.50000 | |
| milk products: | - | - | |
| nut products: | - | 0.10000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | 3.00000 | |
| soft candy: | - | - | |
| soups: | - | 0.10000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
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 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf | |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 5616-51-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 21828 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 3 |
| 2-methyl-1,3-dithiolane | |
| Chemidplus: | 0005616513 |
References:
| 2-methyl-1,3-dithiolane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 5616-51-3 |
| Pubchem (cid): | 21828 |
| Pubchem (sid): | 134986701 |
| Flavornet: | 5616-51-3 |
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB36179 |
| FooDB: | FDB015033 |
| YMDB (Yeast Metabolome Database): | YMDB01456 |
| Export Tariff Code: | 2934.99.9090 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | 2-Methyl-1,3-dithiolane |
Potential Blenders and core components note
| For Odor | ||
| alliaceous | ||
| dimethyl trisulfide | FL/FR | |
| dipropyl disulfide | FL/FR | |
| ferula assa-foetida gum oil | FL/FR | |
| methyl furfuryl disulfide | FL/FR | |
| methyl mercaptan | FL/FR | |
| onion oil | FL/FR | |
| For Flavor | ||
| No flavor group found for these | ||
| allyl methyl disulfide | FL | |
| allyl methyl trisulfide | FL | |
| allyl propyl trisulfide | FL | |
| ethyl propyl trisulfide | FL | |
| furfuryl propyl disulfide | FL | |
| S- | methyl thiopropionate | FL |
| thiophene | FL | |
| alliaceous | ||
| allyl mercaptan | FL | |
| dimethyl trisulfide | FL/FR | |
| dipropyl disulfide | FL/FR | |
| dipropyl trisulfide | FL | |
| ferula assa-foetida gum oil | FL/FR | |
| leek oil | FL | |
| 3- | mercapto-2-pentanone | FL |
| shallot oil | FL | |
| truffle sulfide | FL | |
| coffee | ||
| methyl furfuryl disulfide | FL/FR | |
| garlic | ||
| allyl methyl sulfide | FL | |
| garlic oleoresin | FL | |
| meaty | ||
| 2- | methyl 3-(methyl thio) furan | FL |
| onion | ||
| methyl propyl disulfide | FL | |
| sulfurous | ||
| furfuryl methyl sulfide | FL | |
| methyl ethyl disulfide | FL | |
| methyl mercaptan | FL/FR | |
| 2- | methyl thiophene | FL |
| onion oil | FL/FR | |
Potential Uses:
| cheese | FL | |
| coffee | FL | |
| vegetable | FL |
Occurrence (nature, food, other): note
| beef cooked beef Search PMC Picture |
Synonyms:
| 1,3- | dithiolane, 2-methyl- |
| 2- | methyl dithiacyclopentane |
| methyl dithiolane | |
| 2- | methyl-1,3 dithiolane |
| 2- | methyl-1,3-dithiacyclopentane |