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| IUPAC name : | 2,5-dimethyltetrahydrofuran-3-thiol |
| InChI : | InChI=1/C6H12OS/c1-4-3-6(8)5(2)7-4/h4-6,8H,3H2,1-2H3 |
| InChIKey : | WBELUTNLJPCIHS-UHFFFAOYAL |
| SMILES : | CC1CC(S)C(C)O1 |
| cas number : | 26486-21-5 |
| fema number : | 3971 |
| jecfa number : | 1091 |
| fl. number : | 13.193 |
| molar refractivity : | 37.30 ± 0.4 cm3 |
| parachor : | 307.8 ± 6.0 cm3 |
| index of refraction : | 1.478 ± 0.03 |
| surface tension : | 29.9 ± 5.0 dyne/cm |
| density : | 1.00 ± 0.1 g/cm3 |
| polarizability : | 14.78 ± 0.5 10-24cm3 |
| molecular weight : | 132.2238800 (IUPAC) |
| formula : | C6 H12 O S |
| NMR Predictor : | Predict |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
organoleptics :
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| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description:
at 0.10 % in propylene glycol. | sulfury roasted meat onion |
properties :
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| appearence : | pale yellow to amber yellow clear liquid |
| assay : | 96.00 to 100.00 % sum of isomers
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04000 to 1.04800 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.664 to 8.731
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| refractive index : | 1.47700 to 1.48400 @ 20.00 °C.
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| boiling point : | 175.00 °C. @ 25.00 mm Hg
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| boiling point : | 173.00 to 174.00 °C. @ 760.00 mm Hg
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| flash point : | 137.00 °F. TCC ( 58.33 °C. )
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| logP (o/w) : | 1.11 |
safety :
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| recommendation for (Z+E)-2,5-dimethyl-3-tetrahydrofuran thiol fragrance usage levels up to : |
| | not for fragrance use.
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| 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 on the "LIBRARY" link. |
| publication number : 20 |
| | average usual ppm | average maximum ppm |
| baked goods : | 0.40000 | 0.80000 |
| beverages(nonalcoholic) : | 0.20000 | 0.40000 |
| beverages(alcoholic) : | 0.20000 | 0.40000 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 1.00000 | 2.00000 |
| condiments / relishes : | 0.20000 | 0.40000 |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 0.60000 | 0.60000 |
| fruit ices : | 0.20000 | 0.40000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 0.10000 | 0.20000 |
| hard candy : | 0.40000 | 0.80000 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | 0.20000 | 0.40000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | - | - |
| snack foods : | 0.20000 | 0.40000 |
| soft candy : | 0.30000 | 0.60000 |
| soups : | 0.20000 | 0.40000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
safety references :
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| EPI System : | view |
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2,5-dimethyltetrahydrofuran-3-thiol |
| chemidplus : | 26486-21-5 |
| EPA Substance Registry Services : | 26486-21-5 |
references :
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| |
2,5-dimethyltetrahydrofuran-3-thiol |
| fl. number : | 13.193 |
| jecfa number : | 1091 |
| pubchem : | 26486-21-5 |
other :
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| FDA Everything Added to Food in the United States (EAFUS) | View |