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Category:flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 99.00 to 100.00
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| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.02500 to 1.03400 @ 25.00 °C.
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| Pounds per Gallon - (est).: | 8.529 to 8.604
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| Refractive Index: | 1.49200 to 1.50800 @ 20.00 °C.
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| Boiling Point: | 124.00 to 125.00 °C. @ 6.00 mm Hg
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| Vapor Pressure: | 0.005000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 250.00 °F. TCC ( 121.11 °C. )
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| logP (o/w): | 3.088 (est) |
| Soluble in: |
| | alcohol | | | water, 12.94 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: roasted |
| roasted |
| Odor Description:at 0.10 % in propylene glycol. roasted |
| Flavor Type: creamy |
| creamy cocoa |
| Taste Description: creamy, cocoa-like |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
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| 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] 580 mg/kg
(Fogleman & Suppers, 1974a)
gavage-mouse LD50 [sex: M,F] 720 mg/kg
(Fogleman & Suppers, 1974b)
gavage-mouse LD50 [sex: M,F] 580 mg/kg
(Moran et al., 1980)
oral-mouse LD50 625 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
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Not determined
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Safety in Use Information:
| Category: | | flavoring agents |
| Recommendation for 2,5-dimethyl-3-thioisovaleryl furan usage levels up to: | | | not for fragrance use.
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| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.49 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.70 (μg/capita/day) |
| Structure Class: | III |
| 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: 10 |
| Click here to view publication 10 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 0.20000 |
| beverages(nonalcoholic): | - | - |
| beverages(alcoholic): | - | - |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | - | - |
| fruit ices: | - | - |
| gelatins / puddings: | - | - |
| granulated sugar: | - | - |
| gravies: | - | 0.20000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | 0.20000 |
| milk products: | - | - |
| nut products: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| soft candy: | - | - |
| soups: | - | 0.20000 |
| 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...
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European Food Safety Authority (EFSA) reference(s):
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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
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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
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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
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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
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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
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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
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| 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 :41570 |
| National Institute of Allergy and Infectious Diseases:Data |
| S-(2,5-dimethylfuran-3-yl) 3-methylbutanethioate |
| Chemidplus:0055764288 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| | butanethioic acid, 3-methyl-, S-(2,5-dimethyl-3-furanyl) ester | | 2,5- | dimethyl-3-(isopentyl thio) furan | | 2,5- | dimethyl-3-(isopentylthio)furan | | 2,5- | dimethyl-3-(isovalerylthio)furan | | 2,5- | dimethyl-3-furan thioisovalerate | | S-(2,5- | dimethyl-3-furanyl) 3-methylbutanethioate | | S-2,5- | dimethyl-3-furyl thioisovalerate | | S-(2,5- | dimethyl-3-furyl) 3-methyl butane thioate | | S-(2,5- | dimethyl-3-furyl) 3-methylbutanethioate | | S-(2,5- | dimethyl-3-furyl) thioisovalerate | | 1-((2,5- | dimethyl-3-furyl)sulfanyl)-3-methyl butan-1-one | | S-(2,5- | dimethylfuran-3-yl) 3-methylbutanethioate | | 3- | methyl butane thioic acid S-(2,5-dimethyl-3-furanyl) ester | | | thioisovaleric acid S-2,5-dimethyl-3-furyl ester | | iso | valeric acid, thio-, S-2,5-dimethyl-3-furyl ester | | 3-(iso | valeryl thio)-2,5-dimethyl furan | | 3-(iso | valerylthio)-2,5-dimethylfuran |
Articles:
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3D/inchi
