Articles:
| Info: | substances containing furan substitution |
3-[(2-furfuryl)dithio]-2-methyl-furan
Notes:
Used as a food additive [EAFUS]
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| CAS Number: | 109537-55-5 |  3D/inchi
|
| FDA UNII: | 46QOP2L549 | |
| Nikkaji Web: | J475.299F | |
| XlogP3-AA: | 2.50 (est) | |
| Molecular Weight: | 226.31810000 | |
| Formula: | C10 H10 O2 S2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | Register name to be changed to: 3-[(2-Furfuryl)dithio]-2-methyl-furan. ECFA no. 1524The chemical name in theUnion List should bechanged to 3-[(2-furanylmethyl)dithio]-2-methylfuran | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
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| 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: | 1524 furfuryl 2-methyl-3-furyl disulfide |
| DG SANTE Food Flavourings: | 13.178 3-[(2-furfuryl)dithio]-2-methyl-furan |
| FEMA Number: | 4119 furfuryl 2-methyl-3-furyl disulfide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 109537-55-5 ; FURFURYL 2-METHYL-3-FURYL DISULFIDE |
Physical Properties:
| Appearance: | white to pale yellow solid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.27700 to 1.28300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 10.626 to 10.676 |
| Refractive Index: | 1.58100 to 1.58700 @ 20.00 °C. |
| Melting Point: | 122.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 398.00 °C. @ 760.00 mm Hg |
| Acid Value: | 3.00 max. KOH/g |
| Vapor Pressure: | 0.003000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 269.00 °F. TCC ( 131.50 °C. ) (est) |
| logP (o/w): | 2.922 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 10.35 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: sulfurous | |
| sulfurous meaty | |
| Odor Description: at 0.10 % in propylene glycol. | sulfurous meaty |
| Flavor Type: meaty | |
| meaty | |
| Taste Description: | meaty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| Furan,3-[(2-furanylmethyl)dithio]-2-methyl- |
| BOC Sciences |
| For experimental / research use only. |
| 3-(Furfuryldithio)-2-methylfuran 95% |
| Parchem |
| furfuryl 2-methyl-3-furyl disulfide |
Safety Information:
| 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 furfuryl 2-methyl-3-furyl disulfide usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 160 (μg/person/day) | ||
| Adequate NOAEL exists: | Yes | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.00500 | 0.02000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.00500 | 0.02000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.00500 | 0.02000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.00500 | 0.02000 | |
| snack foods: | 0.00500 | 0.02000 | |
| soft candy: | - | - | |
| soups: | 0.00500 | 0.02000 | |
| 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): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.40000 | 2.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
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): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 13 (FGE.13); Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 (Commission Regulation (EC) No 1565/2000 of 18 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 13Rev1: Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf | |
| Consideration of sulfur-substituted furan derivatives used as flavouring agents evaluated by JECFA (59th meeting) structurally related to a subgroup of substances within the group of “Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14” evaluated by EFSA in FGE.13Rev1 (2009) View page or View pdf | |
| Flavouring Group Evaluation 67 (FGE.67): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 13, Revision 2 (FGE.13Rev2): Furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 1 (FGE.67Rev.1): Consideration of 40 furan-substituted aliphatic hydrocarbons, alcohols, aldehydes, ketones, carboxylic acids and related esters, sulfides, disulfides and ethers evaluated by JECFA at the 65th meeting (JECFA, 2006b) and re-evaluated at the 69th meeting (JECFA, 2009c) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 13 Revision 3 (FGE.13Rev3): furfuryl and furan derivatives with and without additional side-chain substituents and heteroatoms from chemical group 14 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 67, Revision 3 (FGE.67Rev3): consideration of 23 furan-substituted compounds evaluated by JECFA at the 55th, 65th, 69th and 86th meetings 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 : | 526616 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 3-(furan-2-ylmethyldisulfanyl)-2-methylfuran | |
| Chemidplus: | 0109537555 |
References:
| 3-(furan-2-ylmethyldisulfanyl)-2-methylfuran | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 526616 |
| Pubchem (sid): | 135342197 |
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): | HMDB32288 |
| FooDB: | FDB009456 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
Potential Uses:
| corn | FL | |
| meat | FL |
Occurrence (nature, food, other): note
| beef cooked beef Search PMC Picture |
Synonyms:
| 3-[( | furan-2-ylmethyl)disulfanyl]-2-methylfuran |
| 3-( | furan-2-ylmethyldisulfanyl)-2-methylfuran |
| furan, 2-methyl-3-(2-furylmethyldithio)- | |
| furan, 3-[(2-furanylmethyl)dithio]-2-methyl- | |
| 2- | furancarboxylic acid, 3-pentadecyl ester |
| 3-(2- | furanyl methyl)dithio)-2-methyl furan |
| 3-(2- | furanylmethyl)dithio)-2-methylfuran |
| 2- | furfuryl 2-methyl-3-furyl disulfide |
| 3-( | furfuryl dithio)-2-ethyl furan |
| furfuryl-2-methyl-3-furyl disulfide | |
| 3-( | furfuryldithio)-2-ethylfuran |
| 3-( | furfuryldithio)-2-methylfuran |
| furylmethyl 2-methyl-3-furyl disulfide | |
| 3-[(2- | furylmethyl)disulfanyl]-2-methylfuran |
| 2- | methyl-3-((2-furanyl methyl)dithio) furan |
| 2- | methyl-3-((2-furanylmethyl)dithio)furan |
| 2- | methyl-3-[(2-furanylmethyl)-dithio]furan |
| (2- | methyl-3-furanyl) (2-furfuryl) disulfide |
| (2- | methyl-3-furyl) furfuryl disulfide |
| (2- | methyl-3-furyl)furfuryl disulfide |
| 3-[(2- | furfuryl)dithio]-2-methyl-furan |