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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | S-methyl 2-methylbutanethioate |
| InChI : | InChI=1/C6H12OS/c1-4-5(2)6(7)8-3/h5H,4H2,1-3H3 |
| InChIKey : | IAMIOPHEADLKFT-UHFFFAOYAJ |
| SMILES : | CCC(C)C(=O)SC |
| (EINECS) number : | 255-648-9 |
| cas number : | 42075-45-6 |
| fema number : | 3708 |
| jecfa number : | 486 |
| molar refractivity : | 37.83 ± 0.3 cm3 |
| parachor : | 323.9 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 29.4 ± 3.0 dyne/cm |
| density : | 0.950 ± 0.06 g/cm3 |
| polarizability : | 14.99 ± 0.5 10-24cm3 |
| xlogp : | 1.80 |
| molecular weight : | 132.2238800 |
| formula : | C6 H12 O 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 sweet cabbage troical brussel sprouts fruity |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 153.00 - 158.00 °C. @ 760.00 mm Hg
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| logp : | 2.14 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 109.00 °F. TCC ( 42.78 °C. )
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| recommendation for S-tropical 2-thiobutyrate usage levels up to : |
| | not for fragrance use.
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| recommendation for S-tropical 2-thiobutyrate usage levels up to : |
| | 5.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 255-648-9 |
| chemidplus : | 042075456 |
| epa-srs : | 42075-45-6 |
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| other : | |
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| references : | |
| jecfa number : | 486 |
| pubchem : | 207257 |
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