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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 |
| 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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| export tariff code : | 2930.90 |
| fda reg : | unspecified |
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Suppliers :
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| Oxford Chemicals Ltd : | ALLYL PROPYL SULPHIDE |
| | ≥98.00%, NI, Kosher |
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organoleptics :
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| odor type : | sulfurous |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | green onion garlic |
properties :
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| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.85600 - 0.86200 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.131 to 7.181
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| refractive index : | 1.46400 - 1.47000 @ 20.00 °C.
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| boiling point : | 148.00 - 150.00 °C. @ 760.00 mm Hg
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| logp : | 2.74 |
safety :
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| 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. ) : | 102.00 °F. TCC ( 38.89 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl propyl sulfide usage levels up to : |
| | not for fragrance use.
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safety links :
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| (EINECS) number : | 248-673-1 |
| chemidplus : | 027817670 |
| epa-srs : | 27817-67-0 |
| dtp/nci : | 164926 |
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| EPI System : | Click here |
other :
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references :
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| pubchem : | 676091 |
| NIST Chemistry WebBook : | 3645620573 |
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