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| IUPAC name : | bis(3-methylbutyl) 2-sulfanylbutanedioate |
| InChI : | InChI=1/C14H26O4S/c1-10(2)5-7-17-13(15)9-12(19)14(16)18-8-6-11(3)4/h10-12,19H,5-9H2,1-4H3 |
| InChIKey : | HHNLQBYPOOATIP-UHFFFAOYAP |
| SMILES : | CC(C)CCOC(=O)CC(C(=O)OCCC(C)C)S |
| (EINECS) number : | 268-416-7 |
| cas number : | 68084-03-7 |
| fema number : | 4096 |
| coe number : | 11454 |
| jecfa number : | 1672 |
| fl. number : | 12.108 |
| molar refractivity : | 78.23 ± 0.3 cm3 |
| parachor : | 682.6 ± 4.0 cm3 |
| index of refraction : | 1.467 ± 0.02 |
| surface tension : | 34.4 ± 3.0 dyne/cm |
| density : | 1.030 ± 0.06 g/cm3 |
| polarizability : | 31.01 ± 0.5 10-24cm3 |
| xlogp : | 3.80 |
| molecular weight : | 290.4188400 |
| formula : | C14 H26 O4 S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | coffee |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | fermented coffee yeast dark rye bread |
| substantivity : | 96 Hour(s) |
| properties : | |
| appearence : | pale yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.01100 - 1.02100 @ 20.00 °C.
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| pounds per gallon - calc. : | 8.422 to 8.506
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| refractive index : | 1.45600 - 1.46000 @ 20.00 °C.
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| boiling point : | 140.00 - 155.00 °C. @ 1.00 mm Hg
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| logp : | 5.10 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | > 200.00 °F. TCC ( > 93.33 °C. )
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| recommendation for diisoamyl thiomalate 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. |
| 4096 | average usual ppm | average maximum ppm |
| baked goods : | 0.40000 | 2.00000 |
| beverages(nonalcoholic) : | 0.20000 | 1.00000 |
| beverages(alcoholic) : | 0.20000 | 1.00000 |
| breakfast cereal : | 0.20000 | 1.00000 |
| cheese : | 0.40000 | 2.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 0.20000 | 1.00000 |
| confectionery froastings : | 0.40000 | 2.00000 |
| egg products : | - | - |
| fats / oils : | 0.20000 | 1.00000 |
| fish products : | 0.10000 | 0.40000 |
| frozen dairy : | 0.40000 | 2.00000 |
| fruit ices : | 0.40000 | 2.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 1.00000 | 5.00000 |
| hard candy : | - | - |
| imitation dairy : | 0.40000 | 2.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 1.00000 | 2.00000 |
| milk products : | 0.40000 | 2.00000 |
| nut products : | - | - |
| other grains : | 0.20000 | 1.00000 |
| poultry : | 1.00000 | 2.00000 |
| processed fruits : | 0.20000 | 2.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 1.00000 | 2.00000 |
| snack foods : | 1.00000 | 2.00000 |
| soft candy : | - | - |
| soups : | 0.60000 | 2.00000 |
| sugar substitutes : | - | - |
| sweet sauces : | 0.20000 | 1.00000 |
| safety links : | |
| (EINECS) number : | 268-416-7 |
| chemidplus : | 068084037 |
| epa-srs : | 68084-03-7 |
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| other : | |
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| references : | |
| pubchem : | 683779 |
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