| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 94278-27-0 |
| ECHA EC Number: | 304-716-7 |
| FDA UNII: | E9G0NGH9PL |
| Category: | flavoring agents |
| IUPAC Name: | ethyl 3-(furfuryl thio) propionate |
| InChI : | InChI=1/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3 |
| Std.InChI: | InChI=1S/C10H14O3S/c1-2-12-10(11)5-7-14-8-9-4-3-6-13-9/h3-4,6H,2,5,7-8H2,1H3 |
| InChIKey : | ZKCVVCLCYIXCOD-UHFFFAOYAR |
| Std.InChIKey: | ZKCVVCLCYIXCOD-UHFFFAOYSA-N |
| SMILES : | CCOC(=O)CCSCC1=CC=CO1 |
| MDL: | MFCD00051819 |
| Molar Refractivity : | 56.40 ± 0.3 cm3 (est) |
| Parachor : | 472.3 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.510 ± 0.02 (est) |
| Surface Tension : | 39.4 ± 3.0 dyne/cm (est) |
| Density : | 1.136 ± 0.06 g/cm3 (est) |
| Polarizability : | 22.36 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
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| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| 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: | 1088 ethyl 3-(furfurylthio)propionate |
| DG SANTE Food Flavourings: | 13.093 ethyl 3-(furfurylthio)propionate |
| FEMA Number: | 3674 ethyl 3-(furfurylthio)propionate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 94278-27-0 ; ETHYL 3-(FURFURYLTHIO) PROPIONATE |
| Appearance: | yellow to orange brown clear liquid (est) |
| Assay: | 97.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.12100 to 1.13800 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.328 to 9.469 |
| Refractive Index: | 1.50000 to 1.50900 @ 20.00 °C. |
| Boiling Point: | 120.00 °C. @ 0.50 mm Hg |
| Boiling Point: | 321.00 to 322.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 7.3 ( Air = 1 ) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 2.503 (est) |
| Soluble in: | |
| alcohol | |
| water, 260.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. 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 36/39 - Wear suitable clothing and eye/face protection. | |
| 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: | |
| oral-mouse LD50 [sex: M,F] > 5000 mg/kg (Griffiths & Babish, 1977a) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for ethyl 3-(furfuryl thio) propionate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 17.00 (mg/kg bw per 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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 2.00000 | |
| beverages(nonalcoholic): | - | 0.10000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 0.20000 | |
| cheese: | - | - | |
| chewing gum: | - | 1.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | 0.20000 | |
| egg products: | - | - | |
| fats / oils: | - | 20.00000 | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 0.20000 | |
| granulated sugar: | - | - | |
| gravies: | - | 0.20000 | |
| hard candy: | - | 0.20000 | |
| imitation dairy: | - | 0.10000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | 5.00000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | 2.00000 | |
| soft candy: | - | - | |
| soups: | - | 0.50000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | 0.10000 | |
| 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 |
| 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):94278-27-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :556940 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| ethyl 3-(furan-2-ylmethylsulfanyl)propanoate |
| Chemidplus:0094278270 |
| ethyl 3-(furan-2-ylmethylsulfanyl)propanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 94278-27-0 |
| Pubchem (cid): | 556940 |
| Pubchem (sid): | 135347992 |
| (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): | HMDB40055 |
| FooDB: | FDB019742 |
| Export Tariff Code: | 2932.19.0090 |
| 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 |
| not found in nature |
| ethyl 3-((2-furanyl methyl)thio) propanoate | |
| ethyl 3-((2-furanylmethyl)thio)propanoate | |
| ethyl 3-(2-furylmethylthio)propanoate | |
| ethyl 3-(furan-2-ylmethylsulfanyl)propanoate | |
| ethyl 3-(furfurylmercapto)propionate | |
| ethyl 3-(furfurylthio) propionate | |
| ethyl 3-(furfurylthio)propionate | |
| ethyl 3-[(2-furanylmethyl)thio]propanoate | |
| ethyl 3-[(2-furylmethyl)sulfanyl]propanoate | |
| ethyl 3-furfuryl thiopropionate | |
| ethyl 3-furfurylthiopropionate | |
| ethyl beta-furfuryl-alpha-thiopropionate | |
| ethyl-3-(furfurylthio) propionate | |
| 3-((2- | furanyl methyl)thio) propanoic acid ethyl ester |
| 3-((2- | furanylmethyl)thio)propanoic acid ethyl ester |
| 3-( | furfurylthio)propionic acid ethyl ester |
| onion thiopropionate | |
| propanoic acid, 3-((2-furanylmethyl)thio)-, ethyl ester | |
| propanoic acid, 3-[(2-furanylmethyl)thio]-, ethyl ester |
| None found yet. Try the PubMed Search. |
