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| IUPAC name : | 3-methylsulfanylprop-1-ene |
| InChI : | InChI=1/C4H8S/c1-3-4-5-2/h3H,1,4H2,2H3 |
| InChIKey : | NVLPQIPTCCLBEU-UHFFFAOYAX |
| SMILES : | CSCC=C |
| (EINECS) number : | 233-422-0 |
| cas number : | 10152-76-8 |
| coe number : | 11429 |
| fl. number : | 12.096 |
| molar refractivity : | 28.30 ± 0.3 cm3 |
| parachor : | 230.9 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 24.6 ± 3.0 dyne/cm |
| density : | 0.850 ± 0.06 g/cm3 |
| polarizability : | 11.22 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 88.1713200 |
| formula : | C4 H8 S |
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| fda reg : | unspecified |
h. number : | 2930.90 |
| 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 onion |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.87500 - 0.88100 @ 20.00 °C.
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| pounds per gallon - calc. : | 7.289 to 7.339
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| refractive index : | 1.46800 - 1.47400 @ 20.00 °C.
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| boiling point : | 91.00 - 92.00 °C. @ 760.00 mm Hg
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| logp : | 1.76 |
| 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. ) : | 64.00 °F. TCC ( 17.78 °C. )
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| IFRA purity specification : | < 0.1% free allyl alcohol |
| recommendation for allyl methyl sulfide usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 233-422-0 |
| chemidplus : | 010152768 |
| epa-srs : | 10152-76-8 |
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| other : | |
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| references : | |
| pubchem : | 208360 |
| NIST Chemistry WebBook : | 682248517 |
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