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| IUPAC name : | benzyldisulfanylmethylbenzene |
| 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 |
| cas number : | 150-60-7 |
| (EINECS) number : | 205-764-0 |
| beilstein number : | 1110443 |
| 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 |
| XlogP3-AA : | 3.90 |
| molecular weight : | 246.3909600 (IUPAC) |
| formula : | C14 H14 S2 |
| BioActivity Analysis : | 72797 |
| NMR Predictor : | Predict |
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| export tariff code : | 2930.90 |
| fda reg : | 172.515 |
Suppliers :
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| Penta : | benzyl disulfide
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| Pfaltz & Bauer : | Benzyl Disulfide
98% |
| Sigma-Aldrich-SAFC : | Benzyl disulfide
98%, Kosher Odor: green; smoky; earthy |
| TCI AMERICA : | Dibenzyl Disulfide
>98.0%(GC) |
organoleptics :
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| 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 :
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| appearence : | pale yellow crystalline leaflet |
| assay : | 98.00 to 100.00 %
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| Food Chemicals Codex Listed : | No |
| melting point : | 71.00 to 74.00 °C. @ 760.00 mm Hg
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| boiling point : | 270.00 °C. @ 760.00 mm Hg
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| flash point : | not determined
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| logP (o/w) : | 5.29 |
safety :
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| most important hazard(s) : | Xn - Harmful. |
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R 22 - Harmful if swallowed. R 36/37 - Irritating to eyes and respiratory system. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37 - Wear suitable protective clothing and gloves.
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| Oral Toxicity(LD50) : |
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Not determined
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| Dermal Toxicity(LD50) : |
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Not determined
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| Inhalation Toxicity(LC50) : |
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Not determined
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safety in use :
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| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.012 (μg/capita/day) |
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| recommendation for benzyl disulfide usage levels up to : |
| | not for fragrance use.
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safety references :
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| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Chemical Carcinogenesis Research Information System : | Search |
| Env. Mutagen Info. Center : | Search |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
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| WGK Germany : | 2 |
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| | benzyldisulfanylmethylbenzene
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| (EINECS) number : | 205-764-0 |
| RTECS : | JO1750000 for 150-60-7 |
| chemidplus : | 000150607 |
| EPA Substance Registry Services : | 150-60-7 |
| dtp/nci : | 6841 |
references :
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| | benzyldisulfanylmethylbenzene
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| fl. number : | 12.081 |
| jecfa number : | 579 |
| NIST Chemistry WebBook : | 50970433 |
| pubchem : | 152190 |
other :
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| VCF-Online: | VCF Volatile Compounds in Food |
| FDA Everything Added to Food in the United States (EAFUS) | View |