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| IUPAC name : | 2-methylthiolan-3-one |
| InChI : | InChI=1/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3 |
| InChIKey : | YMZZPMVKABUEBL-UHFFFAOYAA |
| SMILES : | CC1C(=O)CCS1 |
| (EINECS) number : | 237-183-3 |
| cas number : | 13679-85-1 |
| fema number : | 3512 |
| coe number : | 11601 |
| jecfa number : | 499 |
| fl. number : | 15.023 |
| molar refractivity : | 31.44 ± 0.3 cm3 |
| parachor : | 256.1 ± 6.0 cm3 |
| index of refraction : | 1.512 ± 0.02 |
| surface tension : | 35.8 ± 3.0 dyne/cm |
| density : | 1.109 ± 0.06 g/cm3 |
| polarizability : | 12.46 ± 0.5 10-24cm3 |
| xlogp : | 0.50 |
| molecular weight : | 116.1814200 |
| formula : | C5 H8 O S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in dipropylene glycol. | sulfur fruity berry |
| properties : | |
| appearence : | colorless to dark yellow clear liquid |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.95800 - 0.97000 @ 25.00 °C.
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| pounds per gallon - calc. : | 7.972 to 8.071
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| refractive index : | 1.51000 - 1.52000 @ 20.00 °C.
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| boiling point : | 82.00 °C. @ 28.00 mm Hg
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| boiling point : | 64.00 - 65.00 °C. @ 11.00 mm Hg
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| logp : | 0.20 |
| 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. ) : | 160.00 °F. TCC ( 71.11 °C. )
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| recommendation for blackberry thiophenone usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for blackberry thiophenone usage levels up to : |
| | 10.0000 ppm in the flavor.
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| safety links : | |
| (EINECS) number : | 237-183-3 |
| chemidplus : | 013679851 |
| epa-srs : | 13679-85-1 |
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| other : | |
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| references : | |
| jecfa number : | 499 |
| fl. number : | 15.023 |
| pubchem : | 198053 |
| NIST Chemistry WebBook : | 3083872964 |
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