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| IUPAC name : | pentane-1-thiol |
| InChI : | InChI=1/C5H12S/c1-2-3-4-5-6/h6H,2-5H2,1H3 |
| InChIKey : | ZRKMQKLGEQPLNS-UHFFFAOYAZ |
| SMILES : | CCCCCS |
| (EINECS) number : | 203-789-1 |
| cas number : | 110-66-7 |
| fema number : | 4333 |
| jecfa number : | 1662 |
| fl. number : | 12.191 |
| molar refractivity : | 33.10 ± 0.3 cm3 |
| parachor : | 282.9 ± 4.0 cm3 |
| index of refraction : | 1.442 ± 0.02 |
| surface tension : | 26.1 ± 3.0 dyne/cm |
| density : | 0.832 ± 0.06 g/cm3 |
| polarizability : | 13.12 ± 0.5 10-24cm3 |
| xlogp : | 2.80 |
| molecular weight : | 104.2137800 |
| formula : | C5 H12 S |
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| fda reg : | unspecified |
h. number : | 2930.90.5050 |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | meaty |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83100 - 0.84400 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.915 to 7.023
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| refractive index : | 1.44100 - 1.45000 @ 20.00 °C.
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| boiling point : | 124.00 - 126.00 °C. @ 760.00 mm Hg
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| logp : | 2.84 |
| safety : | |
| most important hazard(s) : |
Xn - Harmful. |
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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. ) : | 65.00 °F. TCC ( 18.33 °C. )
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| recommendation for amyl 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 : 23. |
| 4333 | average usual ppm | average maximum ppm |
| baked goods : | 0.06000 | 0.50000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | - | - |
| cheese : | 0.01000 | 0.05000 |
| chewing gum : | - | - |
| condiments / relishes : | - | - |
| confectionery froastings : | - | - |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | 0.10000 | 0.50000 |
| frozen dairy : | - | - |
| fruit ices : | - | - |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 0.05000 | 0.50000 |
| hard candy : | - | - |
| imitation dairy : | - | - |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.10000 | 0.50000 |
| milk products : | 0.10000 | 0.50000 |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | - | - |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.40000 | 2.00000 |
| snack foods : | - | - |
| soft candy : | - | - |
| soups : | 0.10000 | 0.50000 |
| sugar substitutes : | - | - |
| sweet sauces : | - | - |
| safety links : | |
| (EINECS) number : | 203-789-1 |
| rtecs : | SA3150000 for 110-66-7 |
| chemidplus : | 000110667 |
| epa-srs : | 110-66-7 |
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| other : | |
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| references : | |
| jecfa number : | 1662 |
| fl. number : | 12.191 |
| pubchem : | 151187 |
| NIST Chemistry WebBook : | 1906723593 |
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