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| IUPAC name : | methyl 2-methylsulfanylbutanoate |
| InChI : | InChI=1/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3 |
| InChIKey : | PBYSEUNXLXTEAN-UHFFFAOYAX |
| SMILES : | CCC(C(=O)OC)SC |
| (EINECS) number : | 255-649-0 |
| cas number : | 51534-66-8 |
| fema number : | 3708 |
| fl. number : | 12.086 |
| molar refractivity : | 39.57 ± 0.3 cm3 |
| parachor : | 343.6 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 1.019 ± 0.06 g/cm3 |
| polarizability : | 15.68 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 132.2238800 |
| formula : | C6 H12 O S |
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| IUPAC name : | methyl (2R)-2-methylsulfanylbutanoate |
| InChI : | InChI=1/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3/t5-/m1/s1 |
| InChIKey : | PBYSEUNXLXTEAN-RXMQYKEDBV |
| SMILES : | CC[C@H](C(=O)OC)SC |
| cas number : | 51534-66-8 |
| molar refractivity : | 39.57 ± 0.3 cm3 |
| parachor : | 343.6 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 1.019 ± 0.06 g/cm3 |
| polarizability : | 15.68 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 132.2238800 |
| formula : | C6 H12 O S |
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| IUPAC name : | methyl (2S)-2-methylsulfanylbutanoate |
| InChI : | InChI=1/C6H12O2S/c1-4-5(9-3)6(7)8-2/h5H,4H2,1-3H3/t5-/m0/s1 |
| InChIKey : | PBYSEUNXLXTEAN-YFKPBYRVBD |
| SMILES : | CC[C@@H](C(=O)OC)SC |
| cas number : | 51534-66-8 |
| molar refractivity : | 39.57 ± 0.3 cm3 |
| parachor : | 343.6 ± 4.0 cm3 |
| index of refraction : | 1.456 ± 0.02 |
| surface tension : | 31.1 ± 3.0 dyne/cm |
| density : | 1.019 ± 0.06 g/cm3 |
| polarizability : | 15.68 ± 0.5 10-24cm3 |
| xlogp : | 1.40 |
| molecular weight : | 132.2238800 |
| formula : | C6 H12 O S |
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| fda reg : | unspecified |
h. number : | 2915.60.0000 |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | sulfury musty onion fruity tropical green |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 99.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.94400 - 0.95200 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.855 to 7.922
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| refractive index : | 1.45700 - 1.46300 @ 20.00 °C.
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| boiling point : | 149.00 - 151.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.70 |
| 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. ) : | 91.00 °F. TCC ( 32.78 °C. )
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| recommendation for methyl 2-(methyl thio) butyrate usage levels up to : |
| | 0.0200 % in the fragrance concentrate.
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| safety links : | |
| (EINECS) number : | 255-649-0 |
| chemidplus : | 51534-66-8 |
| epa-srs : | 51534-66-8 |
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| chemidplus : | 51534-66-8 |
| epa-srs : | 51534-66-8 |
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| chemidplus : | 51534-66-8 |
| epa-srs : | 51534-66-8 |
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| other : | |
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| references : | |
| fl. number : | 12.086 |
| pubchem : | 10368631 |
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| pubchem : | 43559610 |
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| pubchem : | 43559609 |
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