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| IUPAC name : | butane-1-thiol |
| InChI : | InChI=1/C4H10S/c1-2-3-4-5/h5H,2-4H2,1H3 |
| InChIKey : | WQAQPCDUOCURKW-UHFFFAOYAG |
| SMILES : | CCCCS |
| (EINECS) number : | 203-705-3 |
| cas number : | 109-79-5 |
| beilstein number : | 1730908 |
| fema number : | 3478 |
| coe number : | 526 |
| jecfa number : | 511 |
| fl. number : | 12.010 |
| molar refractivity : | 28.47 ± 0.3 cm3 |
| parachor : | 243.1 ± 4.0 cm3 |
| index of refraction : | 1.437 ± 0.02 |
| surface tension : | 25.1 ± 3.0 dyne/cm |
| density : | 0.830 ± 0.06 g/cm3 |
| polarizability : | 11.28 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 90.1872000 |
| formula : | C4 H10 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. | sulfury garlic onion egg coffee |
| taste description³ : | at 1.00 ppm. Sulfureous, vegetative, savory meaty, garlic and onion |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.84200 - 0.84700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.006 to 7.048
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| refractive index : | 1.44400 - 1.45200 @ 20.00 °C.
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| melting point : | -116.00 °C. @ 760.00 mm Hg
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| boiling point : | 97.00 - 98.40 °C. @ 760.00 mm Hg
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| logp : | 2.28 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Rat 1500.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 55.00 °F. TCC ( 12.78 °C. )
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| recommendation for butyl mercaptan usage levels up to : |
| | not for fragrance use.
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| recommendation for butyl mercaptan usage levels up to : |
| | 1.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 203-705-3 |
| rtecs : | EK6300000 for 109-79-5 |
| chemidplus : | 000109795 |
| epa-srs : | 109-79-5 |
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| other : | |
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| references : | |
| jecfa number : | 511 |
| fl. number : | 12.010 |
| pubchem : | 151127 |
| NIST Chemistry WebBook : | 1083849002 |
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| reference : | Mosciano, Gerard P&F 23, No. 1, 33, (1998)³ |