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| IUPAC name : | 3-methylbutane-1-thiol |
| InChI : | InChI=1/C5H12S/c1-5(2)3-4-6/h5-6H,3-4H2,1-2H3 |
| InChIKey : | GIJGXNFNUUFEGH-UHFFFAOYAA |
| SMILES : | CC(C)CCS |
| (EINECS) number : | 208-774-3 |
| cas number : | 541-31-1 |
| fema number : | 3858 |
| jecfa number : | 513 |
| fl. number : | 12.171 |
| molar refractivity : | 33.06 ± 0.3 cm3 |
| parachor : | 280.3 ± 4.0 cm3 |
| index of refraction : | 1.439 ± 0.02 |
| surface tension : | 24.8 ± 3.0 dyne/cm |
| density : | 0.830 ± 0.06 g/cm3 |
| polarizability : | 13.10 ± 0.5 10-24cm3 |
| xlogp : | 2.70 |
| molecular weight : | 104.2137800 |
| formula : | C5 H12 S |
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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. | onion glue |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.83100 - 0.83800 @ 25.00 °C.
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| pounds per gallon - calc. : | 6.915 to 6.973
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| refractive index : | 1.44320 @ 20.00 °C.
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| boiling point : | 118.00 - 120.00 °C. @ 760.00 mm Hg
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| logp : | 2.67 |
| 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. ) : | 65.00 °F. TCC ( 18.33 °C. )
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| recommendation for isoamyl mercaptan usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 208-774-3 |
| chemidplus : | 000541311 |
| epa-srs : | 541-31-1 |
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| other : | |
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| references : | |
| jecfa number : | 513 |
| fl. number : | 12.171 |
| pubchem : | 154225 |
| NIST Chemistry WebBook : | 262182726 |
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