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| IUPAC name : | 1-phenylethanethiol |
| InChI : | InChI=1/C8H10S/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3 |
| InChIKey : | QZZBJCFNHPYNKO-UHFFFAOYAM |
| SMILES : | CC(C1=CC=CC=C1)S |
| cas number : | 6263-65-6 |
| fema number : | 4061 |
| jecfa number : | 1665 |
| fl. number : | 12.289 |
| molar refractivity : | 43.70 ± 0.3 cm3 |
| parachor : | 334.3 ± 4.0 cm3 |
| index of refraction : | 1.550 ± 0.02 |
| surface tension : | 35.4 ± 3.0 dyne/cm |
| density : | 1.008 ± 0.06 g/cm3 |
| polarizability : | 17.32 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 138.2300000 |
| formula : | C8 H10 S |
| BioActivity Analysis : | 111608 |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.01 % solution or less |
odor description :
at 0.01 % in propylene glycol. | sulfurous floral tropical meaty |
| properties : | |
| appearence : | pale yellow to yellow clear oily liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01700 - 1.02100 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.462 to 8.496
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| refractive index : | 1.57900 - 1.58500 @ 20.00 °C.
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| boiling point : | 207.00 - 208.00 °C. @ 760.00 mm Hg
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| logp : | 3.09 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 172.00 °F. TCC ( 77.78 °C. )
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| recommendation for 1-phenethyl mercaptan 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). |
| publication number : 21. |
| 4061 | average usual ppm | average maximum ppm |
| baked goods : | 0.00200 | 0.04000 |
| beverages(nonalcoholic) : | 0.00100 | 0.02000 |
| beverages(alcoholic) : | - | 0.00500 |
| breakfast cereal : | - | - |
| cheese : | - | - |
| chewing gum : | 0.00200 | 0.01500 |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | 0.00100 | 0.00800 |
| granulated sugar : | - | - |
| gravies : | - | - |
| hard candy : | 0.00200 | 0.02500 |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.00100 | 1.00000 |
| snack foods : | 3.00200 | 0.04000 |
| soft candy : | - | - |
| soups : | 0.00500 | 1.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| chemidplus : | 006263656 |
| epa-srs : | 6263-65-6 |
| dtp/nci : | 66561 |
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| other : | |
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| references : | |
| jecfa number : | 1665 |
| fl. number : | 12.289 |
| pubchem : | 006263656 |
| NIST Chemistry WebBook : | 3180318569 |
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