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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 |
| 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. | garlic onion |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83500 - 0.84500 @ 20.00 °C.
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| pounds per gallon - calc. : | 6.956 to 7.039
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| refractive index : | 1.44600 - 1.45400 @ 20.00 °C.
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| boiling point : | 142.00 - 143.00 °C. @ 760.00 mm Hg
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| logp : | 2.88 |
| 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. ) : | 89.00 °F. TCC ( 31.67 °C. )
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| recommendation for dipropyl sulfide usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 203-873-8 |
| chemidplus : | 000111477 |
| epa-srs : | 111-47-7 |
| dtp/nci : | 78429 |
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| other : | |
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| references : | |
| fl. number : | 12.015 |
| pubchem : | 151245 |
| NIST Chemistry WebBook : | 3684924907 |
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