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| IUPAC name : | 2-methyl-2-methyldisulfanylpropanal |
| InChI : | InChI=1/C5H10OS2/c1-5(2,4-6)8-7-3/h4H,1-3H3 |
| InChIKey : | VLBWEJJOETYCSE-UHFFFAOYAX |
| SMILES : | CC(C)(C=O)SSC |
| (EINECS) number : | 267-914-1 |
| cas number : | 67952-60-7 |
| fema number : | 3866 |
| jecfa number : | 580 |
| fl. number : | 12.168 |
| molar refractivity : | 41.35 ± 0.3 cm3 |
| parachor : | 336.3 ± 4.0 cm3 |
| index of refraction : | 1.518 ± 0.02 |
| surface tension : | 37.0 ± 3.0 dyne/cm |
| density : | 1.101 ± 0.06 g/cm3 |
| polarizability : | 16.39 ± 0.5 10-24cm3 |
| xlogp : | 1.60 |
| molecular weight : | 150.2623000 |
| formula : | C5 H10 O S2 |
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| fda reg : | unspecified |
h. number : | unspecified |
| organoleptics : | |
| odor type : | chocolate |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | aromatic cocoa |
| properties : | |
| appearence : | colorless to pale yellow clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.09500 - 1.10000 @ 25.00 °C.
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| pounds per gallon - calc. : | 9.111 to 9.153
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| refractive index : | 1.51200 - 0.15220 @ 20.00 °C.
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| boiling point : | 46.00 °C. @ 1.00 mm Hg
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| boiling point : | 184.00 - 185.00 °C. @ 760.00 mm Hg
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| logp : | 2.23 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 162.00 °F. TCC ( 72.22 °C. )
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| recommendation for cocoa propanal usage levels up to : |
| | 0.1000 % in the fragrance concentrate.
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| recommendation for cocoa propanal usage levels up to : |
| | 0.0200 % in the flavor.
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| safety links : | |
| (EINECS) number : | 267-914-1 |
| chemidplus : | 067952607 |
| epa-srs : | 67952-60-7 |
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| other : | |
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| references : | |
| jecfa number : | 580 |
| fl. number : | 12.168 |
| pubchem : | 683514 |
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