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| IUPAC name : | 2-hexylthiophene |
| InChI : | InChI=1/C10H16S/c1-2-3-4-5-7-10-8-6-9-11-10/h6,8-9H,2-5,7H2,1H3 |
| InChIKey : | QZVHYFUVMQIGGM-UHFFFAOYAW |
| SMILES : | CCCCCCC1=CC=CS1 |
| (EINECS) number : | 242-579-4 |
| cas number : | 18794-77-9 |
| fema number : | 4137 |
| coe number : | 11616 |
| jecfa number : | 1764 |
| fl. number : | 15.076 |
| molar refractivity : | 52.71 ± 0.3 cm3 |
| parachor : | 426.1 ± 4.0 cm3 |
| index of refraction : | 1.504 ± 0.02 |
| surface tension : | 33.0 ± 3.0 dyne/cm |
| density : | 0.946 ± 0.06 g/cm3 |
| polarizability : | 20.89 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 168.2990400 |
| formula : | C10 H16 S |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | oily sulfury fried |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.93000 - 0.93800 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.748 to 7.814
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| refractive index : | 1.49200 - 1.49800 @ 20.00 °C.
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| boiling point : | 229.00 - 230.00 °C. @ 760.00 mm Hg
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| logp : | 5.01 |
| safety : | |
| most important hazard(s) : |
Xi - Irritant |
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 212.00 °F. TCC ( > 100.00 °C. )
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| recommendation for 2-hexyl thiophene usage levels up to : |
| | 0.0300 % in the fragrance concentrate.
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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). |
| publication number : 22. |
| 4137 | average usual ppm | average maximum ppm |
| baked goods : | 0.20000 | 0.20000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | - | - |
| condiments / relishes : | 0.50000 | 0.50000 |
| confectionery froastings : | - | - |
| egg products : | 1.00000 | 1.00000 |
| fats / oils : | 0.20000 | 0.20000 |
| fish products : | 1.00000 | 1.00000 |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 1.00000 | 1.00000 |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 1.00000 | 1.00000 |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | 1.00000 | 1.00000 |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 250.00000 | 250.00000 |
| snack foods : | 0.20000 | 0.20000 |
| soft candy : | - | - |
| soups : | 1.00000 | 1.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 242-579-4 |
| chemidplus : | 018794779 |
| epa-srs : | 18794-77-9 |
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| other : | |
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| references : | |
| jecfa number : | 1764 |
| fl. number : | 15.076 |
| pubchem : | 664621 |
| NIST Chemistry WebBook : | 4288626542 |
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