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| IUPAC name : | 3-propyldisulfanylprop-1-ene |
| InChI : | InChI=1/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3 |
| InChIKey : | FCSSPCOFDUKHPV-UHFFFAOYAQ |
| SMILES : | CCCSSCC=C |
| (EINECS) number : | 218-550-7 |
| cas number : | 2179-59-1 |
| beilstein number : | 1744005 |
| fema number : | 4073 |
| coe number : | 600 |
| jecfa number : | 1700 |
| fl. number : | 12.021 |
| molar refractivity : | 45.56 ± 0.3 cm3 |
| parachor : | 361.1 ± 4.0 cm3 |
| index of refraction : | 1.517 ± 0.02 |
| surface tension : | 33.0 ± 3.0 dyne/cm |
| density : | 0.984 ± 0.06 g/cm3 |
| polarizability : | 18.06 ± 0.5 10-24cm3 |
| xlogp : | 2.60 |
| molecular weight : | 148.2894800 |
| formula : | C6 H12 S2 |
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| IUPAC name : | 3-propylsulfanylprop-1-ene |
| InChI : | InChI=1/C6H12S/c1-3-5-7-6-4-2/h3H,1,4-6H2,2H3 |
| InChIKey : | JMLIYQJQKZYHDQ-UHFFFAOYAT |
| SMILES : | CCCSCC=C |
| (EINECS) number : | 248-673-1 |
| cas number : | 27817-67-0 |
| % from : | 1.00% to 2.00% |
| molar refractivity : | 37.56 ± 0.3 cm3 |
| parachor : | 310.5 ± 4.0 cm3 |
| index of refraction : | 1.462 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.850 ± 0.06 g/cm3 |
| polarizability : | 14.89 ± 0.5 10-24cm3 |
| xlogp : | 2.40 |
| molecular weight : | 116.2244800 |
| formula : | C6 H12 S |
| BioActivity Analysis : | 439344 |
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| IUPAC name : | 1-propylsulfanylpropane |
| InChI : | InChI=1/C6H14S/c1-3-5-7-6-4-2/h3-6H2,1-2H3 |
| InChIKey : | ZERULLAPCVRMCO-UHFFFAOYAQ |
| SMILES : | CCCSCCC |
| (EINECS) number : | 203-873-8 |
| cas number : | 111-47-7 |
| % from : | 1.00% to 2.00% |
| coe number : | 541 |
| fl. number : | 12.015 |
| molar refractivity : | 37.84 ± 0.3 cm3 |
| parachor : | 321.5 ± 4.0 cm3 |
| index of refraction : | 1.447 ± 0.02 |
| surface tension : | 26.6 ± 3.0 dyne/cm |
| density : | 0.835 ± 0.06 g/cm3 |
| polarizability : | 15.00 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 118.2403600 |
| formula : | C6 H14 S |
| BioActivity Analysis : | 48415126 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | alliaceous garlic green onion |
| properties : | |
| appearence : | bright yellow clear oily liquid |
| assay : | 90.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95500 - 0.97500 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.956 to 8.122
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| refractive index : | 1.50800 - 1.52000 @ 20.00 °C.
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| boiling point : | 195.00 - 200.00 °C. @ 760.00 mm Hg
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| logp : | 3.66 |
| 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. ) : | 135.00 °F. TCC ( 57.22 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl propyl disulfide 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 : 22. |
| 4073 | average usual ppm | average maximum ppm |
| baked goods : | 0.20000 | 1.00000 |
| beverages(nonalcoholic) : | - | - |
| beverages(alcoholic) : | - | - |
| breakfast cereal : | 0.10000 | 0.50000 |
| cheese : | 0.20000 | 1.00000 |
| chewing gum : | - | - |
| condiments / relishes : | 0.10000 | 0.50000 |
| confectionery froastings : | 0.20000 | 1.00000 |
| egg products : | - | - |
| fats / oils : | 0.10000 | 0.50000 |
| fish products : | 0.10000 | 0.20000 |
| frozen dairy : | 0.20000 | 1.00000 |
| fruit ices : | 0.20000 | 1.00000 |
| gelatins / puddings : | - | - |
| granulated sugar : | - | - |
| gravies : | 0.40000 | 2.00000 |
| hard candy : | - | - |
| imitation dairy : | 0.20000 | 1.00000 |
| instant coffee / tea : | - | - |
| jams / jellies : | - | - |
| meat products : | 0.10000 | 0.20000 |
| milk products : | 0.20000 | 1.00000 |
| nut products : | - | - |
| other grains : | 0.10000 | 0.50000 |
| poultry : | 0.10000 | 0.20000 |
| processed fruits : | 0.20000 | 1.00000 |
| processed vegetables : | - | - |
| reconstituted vegetables : | - | - |
| seasonings / flavors : | 0.10000 | 0.50000 |
| snack foods : | 0.10000 | 0.50000 |
| soft candy : | - | - |
| soups : | 0.10000 | 0.50000 |
| sugar substitutes : | - | - |
| sweet sauces : | 0.10000 | 0.50000 |
| safety links : | |
| (EINECS) number : | 218-550-7 |
| rtecs : | JO0350000 for 2179-59-1 |
| chemidplus : | 002179591 |
| epa-srs : | 2179-59-1 |
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| (EINECS) number : | 248-673-1 |
| chemidplus : | 027817670 |
| epa-srs : | 27817-67-0 |
| dtp/nci : | 164926 |
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| (EINECS) number : | 203-873-8 |
| chemidplus : | 000111477 |
| epa-srs : | 111-47-7 |
| dtp/nci : | 78429 |
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| ifra : | ifra - ( Found under : Allyl esters ) |
| other : | |
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| references : | |
| pubchem : | 002179591 |
| NIST Chemistry WebBook : | 2796961289 |
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| pubchem : | 027817670 |
| NIST Chemistry WebBook : | 3645620573 |
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| pubchem : | 151245 |
| NIST Chemistry WebBook : | 3684924907 |
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