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| IUPAC name : | methyl 3-(2-furylmethylsulfanyl)propanoate |
| InChI : | InChI=1/C9H12O3S/c1-11-9(10)4-6-13-7-8-3-2-5-12-8/h2-3,5H,4,6-7H2,1H3 |
| InChIKey : | MXXNUXUTQGTBGJ-UHFFFAOYAV |
| SMILES : | COC(=O)CCSCc1ccco1 |
| (EINECS) number : | 304-715-1 |
| cas number : | 94278-26-9 |
| fema number : | 4538 |
| fl. number : | 13.143 |
| molar refractivity : | 51.77 ± 0.3 cm3 |
| parachor : | 432.5 ± 4.0 cm3 |
| index of refraction : | 1.513 ± 0.02 |
| surface tension : | 39.9 ± 3.0 dyne/cm |
| density : | 1.164 ± 0.06 g/cm3 |
| polarizability : | 20.52 ± 0.5 10-24cm3 |
| molecular weight : | 200.2547800 |
| formula : | C9 H12 O3 S |
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| export tariff code : | 2915.50.3000 |
| fda reg : | unspecified |
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Suppliers :
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| Oxford Chemicals Ltd : | METHYL FURFURYLMERCAPTOPROPIONATE |
| | ≥98.00%, NI, Kosher |
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| Treatt : | Methyl-3(furfurylthio)propionate |
| Treatt USA : | Methyl-3(furfurylthio)propionate |
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organoleptics :
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| odor type : | earthy |
odor description :
| earthy fruity |
properties :
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| appearence : | pale yellow to amber clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.16000 - 1.18000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.652 to 9.819
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| refractive index : | 1.50900 - 1.51900 @ 20.00 °C.
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| boiling point : | 116.00 - 118.00 °C. @ 0.20 mm Hg
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| boiling point : | 338.00 - 339.00 °C. @ 760.00 mm Hg
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| acid value : | 1.00 max. KOH/g
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| logp : | 1.97 |
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. ) : | 197.00 °F. TCC ( 91.67 °C. )
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| recommendation for methyl furfuryl mercaptopropionate usage levels up to : |
| | not for fragrance use.
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safety links :
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| (EINECS) number : | 304-715-1 |
| chemidplus : | 094278269 |
| epa-srs : | 94278-26-9 |
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other :
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references :
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| fl. number : | 13.143 |
| pubchem : | 3798830 |
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