methyl furfuryl mercaptopropionate
methyl 3-(furfurylthio)propionate
Identification
| Name | methyl furfuryl mercaptopropionate |
| IUPAC | methyl 3-(2-furylmethylsulfanyl)propanoate |
| CAS Number | 94278-26-9 |
| EINECS | 304-715-1 |
| FDA UNII | L1387H8Y3U |
| Molecular Formula | C9 H12 O3 S |
| Molecular Weight | 200.25724000 |
| MDL Number | MFCD00053109 |
| Nikkaji Number | J326.390H |
Regulatory
| JECFA Food Flavoring | 2094 methyl 3-(furfurylthio)propionate |
| DG SANTE Food Flavourings | 13.143 methyl 3-(furfurylthio)propionate |
| FEMA Number | 4538 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 94278-26-9 ; METHYL 3-(FURFURYLTHIO)PROPIONATE |
Physical Properties
| Appearance | pale yellow to amber clear liquid (est) |
| Assay | 98.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.16000 to 1.18000 @ 25.00 °C., 1.16700 to 1.17300 @ 20.00 °C. |
| Pounds per Gallon - (est). | 9.652 to 9.819 |
| Pounds per Gallon - est. | 9.722 to 9.772 |
| Refractive Index | 1.50900 to 1.51900 @ 20.00 °C. |
| Boiling Point | 113.00 to 116.00 °C. @ 0.20 mm Hg, 338.00 to 339.00 °C. @ 760.00 mm Hg |
| Acid Value | 1.00 max. KOH/g |
| Vapor Pressure | 0.003000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 6.8 ( Air = 1 ) |
| Flash Point | 197.00 °F. TCC ( 91.67 °C. ) |
| logP (o/w) | 1.971 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Earthy Earthy, Fruity, Sweet
|
| Taste Description |
coffee meaty nutty coffee, meaty, nutty
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for methyl furfuryl mercaptopropionate usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.011 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 420 (μg/person/day) |
| Adequate NOAEL exists | Yes |
| Threshold of Concern | 90 (μg/person/day) |
| Structure Class | III |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | 0.10000 |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | 0.10000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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 | 0.10000 |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 0.50000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.20000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.50000 |
| Processed fruit (04.1) | 0.40000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | - |
| Confectionery (05.0) | 1.00000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.20000 |
| Bakery wares (07.0) | 2.00000 |
| Meat and meat products, including poultry and game (08.0) | 0.20000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.20000 |
| Eggs and egg products (10.0) | - |
| Sweeteners, including honey (11.0) | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 0.30000 |
| Foodstuffs intended for particular nutritional uses (13.0) | 0.50000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.20000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 1.00000 |
| Ready-to-eat savouries (15.0) | 2.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.40000 |
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