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| IUPAC name : | 4-methyl-4-sulfanylpentan-2-ol |
| InChI : | InChI=1/C6H14OS/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3 |
| InChIKey : | FDBQLLMYSACLPB-UHFFFAOYAX |
| SMILES : | CC(CC(C)(C)S)O |
| cas number : | 31539-84-1 |
| fema number : | 4158 |
| jecfa number : | 1669 |
| fl. number : | 12.252 |
| molar refractivity : | 39.20 ± 0.3 cm3 |
| parachor : | 331.9 ± 4.0 cm3 |
| index of refraction : | 1.473 ± 0.02 |
| surface tension : | 32.0 ± 3.0 dyne/cm |
| density : | 0.961 ± 0.06 g/cm3 |
| polarizability : | 15.54 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 134.2397600 |
| formula : | C6 H14 O S |
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| fda reg : | unspecified |
h. number : | unspecified |
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| organoleptics : | |
odor description :
| floral lemon grapefruit |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.15400 - 1.15800 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.602 to 9.636
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| refractive index : | 1.46300 - 1.46800 @ 20.00 °C.
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| boiling point : | 50.00 - 51.00 °C. @ 1.00 mm Hg
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| logp : | 1.28 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 163.00 °F. TCC ( 72.78 °C. )
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| recommendation for 4-mercapto-4-methyl-2-pentanol usage levels up to : |
| | 0.0500 % 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. |
| 4158 | average usual ppm | average maximum ppm |
| baked goods : | 0.02000 | 0.10000 |
| beverages(nonalcoholic) : | 0.01000 | 0.05000 |
| beverages(alcoholic) : | 0.02000 | 0.10000 |
| breakfast cereal : | 0.02000 | 0.10000 |
| cheese : | - | - |
| chewing gum : | 0.02000 | 0.10000 |
| condiments / relishes : | - | - |
| confectionery froastings : | 0.01000 | 0.05000 |
| egg products : | - | - |
| fats / oils : | - | - |
| fish products : | - | - |
| frozen dairy : | 0.01000 | 0.05000 |
| fruit ices : | 0.01000 | 0.05000 |
| gelatins / puddings : | 0.01000 | 0.05000 |
| granulated sugar : | 0.02000 | 0.10000 |
| gravies : | - | - |
| hard candy : | 0.01000 | 0.10000 |
| imitation dairy : | - | - |
| instant coffee / tea : | 0.01000 | 0.05000 |
| jams / jellies : | 0.01000 | 0.05000 |
| meat products : | - | - |
| milk products : | - | - |
| nut products : | - | - |
| other grains : | - | - |
| poultry : | - | - |
| processed fruits : | 0.01000 | 0.05000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 10.00000 | 100.00000 |
| snack foods : | 0.02000 | 0.10000 |
| soft candy : | 0.02000 | 0.10000 |
| soups : | - | - |
| sugar substitutes : | 0.10000 | 0.50000 |
| sweet sauces : | 0.01000 | 0.05000 |
| safety links : | |
| chemidplus : | 31539-84-1 |
| epa-srs : | 31539-84-1 |
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| other : | |
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| references : | |
| jecfa number : | 1669 |
| fl. number : | 12.252 |
| pubchem : | 10545460 |
| NIST Chemistry WebBook : | 403373131 |
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