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furfuryl mercaptan
General Material Information
| Preferred name | furfuryl mercaptan |
| Trivial Name | 2-Furanmethanethiol |
| Short Description | 2-furanmethanethiol |
| Formula | C5 H6 O S |
| CAS Number | 98-02-2 |
| FEMA Number | 2493 |
| Flavis Number | 13.026 |
| ECHA Number | 202-628-2 |
| FDA UNII | 29W096TCPG |
| Nikkaji Number | J21.666F |
| Beilstein Number | 0383594 |
| MDL | MFCD00003254 |
| COE Number | 2202 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1072 furfuryl mercaptan |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 98-02-2 ; FURFURYL MERCAPTAN |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| furan-2-ylmethanethiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 98-02-2 |
| Pubchem (cid): | 7363 |
| Pubchem (sid): | 134970963 |
| Flavornet: | 98-02-2 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB32915 |
| FooDB: | FDB010898 |
| YMDB (Yeast Metabolome Database): | YMDB01433 |
| Export Tariff Code: | 2932.19.5100 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | 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 |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 114.16702270508 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 9.372 to 9.455 |
| Refractive Index | 1.527 to 1.542 @ 20 °C |
| Boiling Point | 154 to 155°C @ 760 mm Hg |
| Vapor Pressure | 3.98 mmHg @ 25 °C |
| Vapor Density | 3.9 |
| Flash Point TCC Value | 45 °C TCC |
| logP (o/w) | 1.727 est |
| Solubility | |
| alcohol | Yes |
| water, 2216 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Coffee | |
| sulfurous, coffee roasted coffee, oily, fatty, burnt, smoky, savory, meaty, chicken, onion cooked onion | |
| General comment | At 0.10 % in dipropylene glycol. sulfury roasted coffee oily fatty burnt smoky |
| Mosciano, Gerard P&F 26, No. 5, 68, (2001) | At 0.10 % in propylene glycol. Roasted coffee, sulfurous, with a burnt match note. It is savory meaty with chicken and fried onion nuances. |
| Flavor Type: Coffee | |
| sulfurous, roasted, coffee, burnt, rubbery, nutty, eggy, savory, meaty | |
| Mosciano, Gerard P&F 26, No. 5, 68, (2001) | At 1.00 ppm. Sulfurous roasted coffee, burnt match-like, rubbery, and slightly nutty with eggy and savory meaty nuances. |
| Flavor threshold in water: 0.04 ppb. Found as a natural constituent in Roasted offee in 1926, it has long been used as the character impact compound in Artificial Coffee flavors. At 0.1-1 ppb this material is coffee-like, but at 5-10 ppb it has a stale coffee & sulphury character (Tressl, 1989). Mosciano, et. al. (1997) describe the odor as "sulphurous, coffee, savory and meaty with a pungent nuance" and the taste (at 1.0 ppm) as "Sulphurous, roasted, onion, garlic, coffee and sesame". Used in Coffee, Chocolate, Meat, Smoke, Nut, Toffee and Caramel flavors. Normal use levels in finished consumer product: 0.0001-0.5 ppm. Council of Europe limits: Foods (30 ppm); Beverages (1 ppm). | Burnt |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Butterscotch, Coffee, Toffee |
| Flavoring purposes | Caramel, Chocolate cocoa, Egg, Garlic, Meat, Nut, Onion, Smoke |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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 - Wear suitable protective clothing. | |
| 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: | |
| intraperitoneal-mouse LD50 [sex: M] 100 - 200 mg/kg (Doull et al., 1962) intraperitoneal-mouse LD50 100 mg/kg National Technical Information Service. Vol. AD277-689 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for furfuryl mercaptan usage levels up to: | |||
| 0.0500 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 29.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 11.00 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 3.00 (mg/kg bw per 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: 2 | |||
| Click here to view publication 2 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.10000 | |
| beverages(nonalcoholic): | - | 0.52000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.50000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.78000 | |
| fruit ices: | - | 0.78000 | |
| gelatins / puddings: | - | 0.10000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 2.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| 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): |
| 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 65, Revision 1 (FGE.65Rev1): 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.13Rev2 (2011) View page or View pdf |
| Safety and efficacy of furfuryl and furan derivatives belonging to chemical group 14 when used as flavourings for all animal species and categories 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):98-02-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7363 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3336 |
| WGK Germany:3 |
| furan-2-ylmethanethiol |
| Chemidplus:0000098022 |
| RTECS:LU2100000 for cas# 98-02-2 |