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| IUPAC name : | methyl 4-methylsulfanylbutanoate |
| InChI : | InChI=1/C6H12O2S/c1-8-6(7)4-3-5-9-2/h3-5H2,1-2H3 |
| InChIKey : | HQDLZISNHUMXEA-UHFFFAOYAI |
| SMILES : | COC(=O)CCCSC |
| (EINECS) number : | 258-328-7 |
| cas number : | 53053-51-3 |
| fema number : | 3412 |
| coe number : | 11526 |
| jecfa number : | 474 |
| fl. number : | 12.060 |
| molar refractivity : | 39.61 ± 0.3 cm3 |
| parachor : | 346.2 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 32.4 ± 3.0 dyne/cm |
| density : | 1.022 ± 0.06 g/cm3 |
| polarizability : | 15.70 ± 0.5 10-24cm3 |
| xlogp : | 1.50 |
| molecular weight : | 148.2232800 |
| formula : | C6 H12 O2 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 propylene glycol. | sulfury cabbage fruity pineapple cheese |
| substantivity : | 196 Hour(s) |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95300 - 0.95700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.930 to 7.963
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| refractive index : | 1.46700 - 1.47700 @ 20.00 °C.
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| boiling point : | 110.00 °C. @ 20.00 mm Hg
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| boiling point : | 52.00 °C. @ 3.00 mm Hg
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| logp : | 1.30 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 185.00 °F. TCC ( 85.00 °C. )
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| recommendation for methyl 4-(methyl thio) butyrate usage levels up to : |
| | not for fragrance use.
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| recommendation for methyl 4-(methyl thio) butyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 258-328-7 |
| chemidplus : | 053053513 |
| epa-srs : | 53053-51-3 |
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| other : | |
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| references : | |
| pubchem : | 207417 |
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