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| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
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| IUPAC name : | 1-thiophen-2-ylbutan-1-one |
| InChI : | InChI=1/C8H10OS/c1-2-4-7(9)8-5-3-6-10-8/h3,5-6H,2,4H2,1H3 |
| InChIKey : | YXHIINNJOGKPLF-UHFFFAOYAR |
| SMILES : | CCCC(=O)C1=CC=CS1 |
| (EINECS) number : | 226-246-0 |
| cas number : | 5333-83-5 |
| fl. number : | 15.104 |
| molar refractivity : | 43.93 ± 0.3 cm3 |
| parachor : | 355.1 ± 4.0 cm3 |
| index of refraction : | 1.524 ± 0.02 |
| surface tension : | 37.5 ± 3.0 dyne/cm |
| density : | 1.075 ± 0.06 g/cm3 |
| polarizability : | 17.41 ± 0.5 10-24cm3 |
| xlogp : | 1.70 |
| molecular weight : | 154.2294000 |
| formula : | C8 H10 O S |
| BioActivity Analysis : | 69023 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.01 % in propylene glycol. | grilled roast beef |
| properties : | |
| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| boiling point : | 242.00 - 244.00 °C. @ 760.00 mm Hg
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| logp : | 2.32 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 216.00 °F. TCC ( 102.22 °C. )
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| recommendation for 1-(2-thienyl) butanone usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 226-246-0 |
| chemidplus : | 005333835 |
| epa-srs : | 5333-83-5 |
| dtp/nci : | 2350 |
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| other : | |
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| references : | |
| pubchem : | 656265 |
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