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| IUPAC name : | phenylmethyldisulfanylmethylbenzene |
| InChI : | InChI=1/C14H14S2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2 |
| InChIKey : | GVPWHKZIJBODOX-UHFFFAOYAF |
| SMILES : | C1=CC=C(C=C1)CSSCC2=CC=CC=C2 |
| (EINECS) number : | 205-764-0 |
| cas number : | 150-60-7 |
| fema number : | 3617 |
| jecfa number : | 579 |
| fl. number : | 12.081 |
| molar refractivity : | 76.28 ± 0.3 cm3 |
| parachor : | 557.3 ± 4.0 cm3 |
| index of refraction : | 1.643 ± 0.02 |
| surface tension : | 48.7 ± 3.0 dyne/cm |
| density : | 1.168 ± 0.06 g/cm3 |
| polarizability : | 30.24 ± 0.5 10-24cm3 |
| xlogp : | 4.50 |
| molecular weight : | 246.3909600 |
| formula : | C14 H14 S2 |
| BioActivity Analysis : | 72797 |
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| fda reg : | 172.515 |
h. number : | 2930.90 |
| organoleptics : | |
| odor type : | smoky |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | smoky burnt earthy green caramel |
| properties : | |
| appearence : | pale yellow crystalline leaflet |
| assay : | 98.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 71.00 - 74.00 °C. @ 760.00 mm Hg
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| boiling point : | 270.00 °C. @ 760.00 mm Hg
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| logp : | 5.29 |
| safety : | |
| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | not determined
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| recommendation for benzyl disulfide usage levels up to : |
| | not for fragrance use.
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| safety links : | |
| (EINECS) number : | 205-764-0 |
| rtecs : | JO1750000 for 150-60-7 |
| chemidplus : | 000150607 |
| epa-srs : | 150-60-7 |
| dtp/nci : | 6841 |
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| other : | |
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| references : | |
| pubchem : | 152190 |
| NIST Chemistry WebBook : | 50970433 |
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