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| IUPAC name : | 3-(2-methylfuran-3-yl)sulfanylheptan-4-one |
| InChI : | InChI=1/C12H18O2S/c1-4-6-10(13)11(5-2)15-12-7-8-14-9(12)3/h7-8,11H,4-6H2,1-3H3 |
| InChIKey : | GFRRQSASJZMMJC-UHFFFAOYAR |
| SMILES : | CCCC(=O)C(CC)SC1=C(OC=C1)C |
| (EINECS) number : | 262-690-1 |
| cas number : | 61295-41-8 |
| fema number : | 3570 |
| coe number : | 11922 |
| jecfa number : | 1085 |
| fl. number : | 13.077 |
| molar refractivity : | 64.37 ± 0.4 cm3 |
| parachor : | 533.1 ± 6.0 cm3 |
| index of refraction : | 1.510 ± 0.03 |
| surface tension : | 37.7 ± 5.0 dyne/cm |
| density : | 1.05 ± 0.1 g/cm3 |
| polarizability : | 25.52 ± 0.5 10-24cm3 |
| xlogp : | 2.50 |
| molecular weight : | 226.3351200 |
| formula : | C12 H18 O2 S |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | meaty |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | roasted meaty |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04100 - 1.04500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.662 to 8.695
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| refractive index : | 1.49600 - 1.50200 @ 20.00 °C.
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| boiling point : | 85.00 - 86.00 °C. @ 0.30 mm Hg
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| logp : | 3.59 |
| safety : | |
| Oral Toxicity(LD50) : |
Oral-Mouse 425.00 mg/kg
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 268.00 °F. TCC ( 131.11 °C. )
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| recommendation for 3-((2-methyl-3-furyl)thio)-4-heptanone usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 262-690-1 |
| chemidplus : | 061295418 |
| epa-srs : | 61295-41-8 |
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| other : | |
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| references : | |
| jecfa number : | 1085 |
| fl. number : | 13.077 |
| pubchem : | 183969 |
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