2-methyl-1,3-dithiolane
1,3-dithiolane, 2-methyl-
 
Notes:
Maillard product from cysteine and glucose degradation. Flavouring ingredient; present in boiled beef volatiles
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      5616-51-3 2-Methyl-1,3-dithiolane
       
  • Endeavour Specialty Chemicals
    • 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.
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      Product(s):
      SH0020 2-Methyl-1,3-dithiolane 97% F&F
       
  • Penta International
    • 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.
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      Product(s):
      13-40550 2-METHYL-1,3-DITHIOLANE
       
  • Robinson Brothers
  • Synerzine
    • 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.
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      Product(s):
      W1436 2-METHYL-1,3-DITHIOLANE
       
  • Taytonn
    • TAYTONN 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.
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      Product(s):
      2-Methyl-1,3-dithiolane
       
  • R C Treatt & Co Ltd
    • 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.
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      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.
       
       
Synonyms   Articles   Notes   Search
CAS Number: 5616-51-3Picture of molecule3D/inchi
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 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
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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
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
 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.
 
 
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Cosmetic Information:
None found
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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
2-Methyl-1,3-dithiolane
Odor: Alliaceous, Burnt
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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
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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 ppmaverage 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: --
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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
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
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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
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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
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Potential Blenders and core components note
 
For Odor
alliaceous
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 ferula assa-foetida gum oilFL/FR
 methyl furfuryl disulfideFL/FR
 methyl mercaptanFL/FR
 onion oilFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl disulfideFL
 allyl methyl trisulfideFL
 allyl propyl trisulfideFL
 ethyl propyl trisulfideFL
 furfuryl propyl disulfideFL
S-methyl thiopropionateFL
 thiopheneFL
alliaceous
 allyl mercaptanFL
 dimethyl trisulfideFL/FR
 dipropyl disulfideFL/FR
 dipropyl trisulfideFL
 ferula assa-foetida gum oilFL/FR
 leek oilFL
3-mercapto-2-pentanoneFL
 shallot oilFL
 truffle sulfideFL
coffee
 methyl furfuryl disulfideFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
meaty
2-methyl 3-(methyl thio) furanFL
onion
 methyl propyl disulfideFL
sulfurous
 furfuryl methyl sulfideFL
 methyl ethyl disulfideFL
 methyl mercaptanFL/FR
2-methyl thiopheneFL
 onion oilFL/FR
 
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Potential Uses:
 cheeseFL
 coffeeFL
 vegetableFL
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Occurrence (nature, food, other): note
 beef cooked beef
Search  PMC Picture
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Synonyms:
1,3-dithiolane, 2-methyl-
2-methyl dithiacyclopentane
 methyl dithiolane
2-methyl-1,3 dithiolane
2-methyl-1,3-dithiacyclopentane
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