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fish thiol
General Material Information
| Preferred name | fish thiol |
| Trivial Name | 2-Methyl-3-furanthiol |
| Short Description | 2-methyl-3-furanthiol |
| Formula | C5 H6 O S |
| CAS Number | 28588-74-1 |
| FEMA Number | 3188 |
| Flavis Number | 13.055 |
| ECHA Number | 249-094-7 |
| FDA UNII | N21RW1N179 |
| Nikkaji Number | J75.521D |
| MDL | MFCD00010280 |
| COE Number | 11678 |
| xLogP3-AA | 1.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1060 2-methyl-3-furanthiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 28588-74-1 ; 2-METHYL-3-FURANTHIOL |
| 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
| 2-methylfuran-3-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 28588-74-1 |
| Pubchem (cid): | 34286 |
| Pubchem (sid): | 134997885 |
| Flavornet: | 28588-74-1 |
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): | HMDB36611 |
| FooDB: | FDB015527 |
| YMDB (Yeast Metabolome Database): | YMDB01443 |
| Export Tariff Code: | 2932.19.5100 |
| 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 |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 114.16702270508 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.494 to 9.569 |
| Refractive Index | 1.509 to 1.53 @ 20 °C |
| Boiling Point | 57 to 60°C @ 44 mm Hg |
| Vapor Pressure | 5.782 mmHg @ 25 °C |
| Vapor Density | 3.9 |
| Flash Point TCC Value | 36.67 °C TCC |
| logP (o/w) | 1.941 est |
| Shelf life | 6 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. store under nitrogen. |
| Solubility | |
| alcohol | Yes |
| water, 630.8 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, meaty, fishy, metallic, chicken roasted chicken | |
| General comment | At 0.10 % in propylene glycol. sulfury meaty fish metallic |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | SuIfureous, meaty, fishy, metallic and roasted chicken-like |
| Flavor Type: Sulfurous | |
| sulfurous, fishy, meaty, salmon, tuna, roasted | |
| Mosciano, Gerard P&F 21, No. 3, 51, (1996) | At 15.00 ppm. Sulfureous, fishy, meaty, salmon and tuna-like with a slight, roasted nuance |
| General comment | Sulfury fish meat salmon tuna roasted |
| Considered to be an important flavour chemical for meat flavours; also used in nut flavors. van den Ouweland, Demole & Enggist (1989) have noted that a 5- or 6- membered planar ring substituted with an "ene-thiol" and a methyl group adjacent to the thiol is important for the generation of meaty flavour/aroma. Normal use levels in finished consumer product: 0.005-0.25ppm. | Roasted meat; sweet beef broth, HVP notes |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Flavoring purposes | Chicken , Fish , Meat , Salmon , Savory , Tuna |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T - Toxic. | |
| R 10 - Flammable. R 25 - Toxic if swallowed. S 01/02 - Keep locked up and out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. 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. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| 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-mouse LD50 [sex: M,F] 100 mg/kg (Oser, 1969a) gavage-mouse LD50 [sex: M,F] 100 mg/kg (Moran et al., 1980) oral-mouse LD50 100 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| 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 fish thiol usage levels up to: | |||
| 0.0100 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.52 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.90 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 5.00 (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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.25000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.25000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 0.25000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.25000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 0.25000 | |
| 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 |
| EPA Substance Registry Services (TSCA):28588-74-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :34286 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1228 |
| WGK Germany:3 |
| 2-methylfuran-3-thiol |
| Chemidplus:0028588741 |
| RTECS:LU6235000 for cas# 28588-74-1 |