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| IUPAC name : | 4-methylsulfanylbutan-2-one |
| InChI : | InChI=1/C5H10OS/c1-5(6)3-4-7-2/h3-4H2,1-2H3 |
| InChIKey : | DRGHCRKOWMAZAO-UHFFFAOYAY |
| SMILES : | CC(=O)CCSC |
| (EINECS) number : | 251-810-8 |
| cas number : | 34047-39-7 |
| fema number : | 3375 |
| coe number : | 11688 |
| jecfa number : | 497 |
| fl. number : | 12.057 |
| molar refractivity : | 33.23 ± 0.3 cm3 |
| parachor : | 286.8 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.967 ± 0.06 g/cm3 |
| polarizability : | 13.17 ± 0.5 10-24cm3 |
| xlogp : | 1.10 |
| molecular weight : | 118.1973000 |
| formula : | C5 H10 O S |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Oxford Chemicals Ltd : | 4-(METHYLTHIO)-2-BUTANONE |
| | ≥97.00%, NI, Kosher |
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| Sigma-Aldrich-SAFC : | 4-Methylthio-2-butanone |
| | ≥97%, Kosher |
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| Treatt : | 4-Methylthiobutan-2-one |
| Treatt USA : | 4-Methylthiobutan-2-one |
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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 dipropylene glycol. | sweet sulfury vegetable potato earthy tomato |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.00000 - 1.00700 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.321 to 8.379
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| refractive index : | 1.47000 - 1.48100 @ 20.00 °C.
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| boiling point : | 105.00 - 107.00 °C. @ 55.00 mm Hg
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| boiling point : | 77.00 - 78.00 °C. @ 20.00 mm Hg
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| logp : | 0.71 |
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. ) : | 162.00 °F. TCC ( 72.22 °C. )
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| recommendation for potato butanone usage levels up to : |
| | not for fragrance use.
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| recommendation for potato butanone usage levels up to : |
| | 15.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 251-810-8 |
| chemidplus : | 034047397 |
| epa-srs : | 34047-39-7 |
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other :
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references :
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| jecfa number : | 497 |
| fl. number : | 12.057 |
| pubchem : | 198321 |
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