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| IUPAC name : | ethyl 3-methylsulfanylbutanoate |
| InChI : | InChI=1/C7H14O2S/c1-4-9-7(8)5-6(2)10-3/h6H,4-5H2,1-3H3 |
| InChIKey : | OBOGJNGOEGQVPL-UHFFFAOYAT |
| SMILES : | O=C(OCC)CC(C)SC |
| cas number : | 233665-96-8 |
| fema number : | 3836 |
| jecfa number : | 480 |
| fl. number : | 12.089 |
| molar refractivity : | 44.20 ± 0.3 cm3 |
| parachor : | 383.4 ± 4.0 cm3 |
| index of refraction : | 1.458 ± 0.02 |
| surface tension : | 31.4 ± 3.0 dyne/cm |
| density : | 1.002 ± 0.06 g/cm3 |
| polarizability : | 17.52 ± 0.5 10-24cm3 |
| molecular weight : | 162.2498600 |
| formula : | C7 H14 O2 S |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Cargill - Alfrebro : | ETHYL-3-(METHYLTHIO) BUTYRATE
Kosher |
organoleptics :
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| odor type : | tropical |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | tropical fruity red fruit pineapple |
properties :
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| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.88000 to 0.88700 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.322 to 7.381
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| refractive index : | 1.46200 to 1.46800 @ 20.00 °C.
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| boiling point : | 101.00 to 103.00 °C. @ 15.00 mm Hg
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safety :
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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. ) : | not determined
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| recommendation for tropical 3-thiobutyrate usage levels up to : |
| | 0.0500 % in the fragrance concentrate.
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| recommendation for tropical 3-thiobutyrate usage levels up to : |
| | 10.0000 ppm in the flavor.
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safety links :
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| chemidplus : | 233665-96-8 |
| EPA Substance Registry Services : | 233665-96-8 |
| NLM Chemical Carcinogenesis Research Information System : | 233665-96-8 |
| NLM Developmental and Reproductive Toxicity : | 233665-96-8 |
| NLM Env. Mutagen Info. Center : | 233665-96-8 |
| NLM GENetic TOXicology : | 233665-96-8 |
| EPI System : | view |
other :
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references :
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| jecfa number : | 480 |
| fl. number : | 12.089 |
| pubchem : | 233665-96-8 |