| |
| Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here. |
| |
|
|
| IUPAC name : | 2-(furan-2-ylmethylsulfanylmethyl)furan |
| InChI : | InChI=1/C10H10O2S/c1-3-9(11-5-1)7-13-8-10-4-2-6-12-10/h1-6H,7-8H2 |
| InChIKey : | UYLKDZXJEKFFHJ-UHFFFAOYAG |
| SMILES : | C1=COC(=C1)CSCC2=CC=CO2 |
| cas number : | 13678-67-6 |
| (EINECS) number : | 237-172-3 |
| fema number : | 3238 |
| coe number : | 11438 |
| jecfa number : | 1080 |
| fl. number : | 13.056 |
| molar refractivity : | 52.88 ± 0.3 cm3 |
| parachor : | 414.6 ± 4.0 cm3 |
| index of refraction : | 1.564 ± 0.02 |
| surface tension : | 42.3 ± 3.0 dyne/cm |
| density : | 1.195 ± 0.06 g/cm3 |
| polarizability : | 20.96 ± 0.5 10-24cm3 |
| XlogP : | 1.60 |
| molecular weight : | 194.2502000 (IUPAC) |
| formula : | C10 H10 O2 S |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | 2932.19.0000 |
| fda reg : | unspecified |
Suppliers :
|
| Advanced Biotech : | difurfuryl sulfide
98% min. natural Odor: Meaty |
| Frutarom : | 2,2-(THIODIMETHYLENE)DIFURAN
≥98.00%, NI, Kosher Odor: Coffee, Meaty, Roast. Suggested Uses: Coffee, Savoury |
| Hofmen : | Difurfuryl sulfide
|
| Penta : | 2,2-(thiodimethylene)difuran
|
| Sigma-Aldrich-SAFC : | 2,2'-(Thiodimethylene)difuran
≥98%, FG Odor: cheese; meaty; coffee; nutty; earthy; alliaceous (onion, garlic); vegetable. If you get a cover box over Sigma-aldrich web page, click here to set your country of origin. |
organoleptics :
|
| odor type : | earthy |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description: at 0.10 % in propylene glycol. | powerful earthy mushroom coffee meaty sulfury |
odor description: at 0.10 % in propylene glycol. | Mild, earthy, fungal, mushroom-like with roasted meaty undertone, cocoa and coffee with nutty nuances Mosciano, Gerard P&F 26, No. 5, 68, (2001) |
taste description: at 0.10 - 0.30 ppm. | Earthy, mushroom, metallic, with bloody savory notes Mosciano, Gerard P&F 26, No. 5, 68, (2001) |
properties :
|
| appearence : | yellow brown to brown solid |
| assay : | 98.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| melting point : | 29.00 to 32.00 °C. @ 760.00 mm Hg
|
| boiling point : | 130.00 to 131.00 °C. @ 9.00 mm Hg
|
| boiling point : | 135.00 to 143.00 °C. @ 14.00 mm Hg
|
| vapor density : | 6.6 ( Air = 1 ) |
| flash point : | > 230.00 °F. TCC ( > 110.00 °C. )
|
| logP (o/w) : | 2.51 |
safety :
|
| most important hazard(s) : | Xi - Irritant |
| |
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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
|
| Oral Toxicity(LD50) : | |
| |
Not determined
|
| Dermal Toxicity(LD50) : | |
| |
Not determined
|
| Inhalation Toxicity(LC50) : | |
| |
Not determined
|
| |
safety in use :
|
| Category : | flavoring agents |
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.73 (μg/capita/day) |
| |
| recommendation for difurfuryl sulfide fragrance usage levels up to : |
| | not for fragrance use.
|
| recommendation for difurfuryl sulfide flavor usage levels up to : |
| | 1.0000 ppm in the flavor.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| |
| WGK Germany : | 3 |
| |
| |
| |
| | 2-(furan-2-ylmethylsulfanylmethyl)furan |
| (EINECS) number : | 237-172-3 |
| chemidplus : | 013678676 |
| EPA Substance Registry Services : | 13678-67-6 |
references :
|
| | 2-(furan-2-ylmethylsulfanylmethyl)furan |
| fl. number : | 13.056 |
| jecfa number : | 1080 |
| NIST Chemistry WebBook : | 2724713085 |
| pubchem : | 198048 |
other :
|
| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |