| |
| Right Click Picture For More Options. (Safari 1.2 (v125) Compatible). |
| |
|
|
| IUPAC name : | butane-2,3-dithiol |
| InChI : | InChI=1/C4H10S2/c1-3(5)4(2)6/h3-6H,1-2H3 |
| InChIKey : | TWWSEEHCVDRRRI-UHFFFAOYAC |
| SMILES : | CC(C(C)S)S |
| cas number : | 4532-64-3 |
| (EINECS) number : | 224-870-8 |
| fema number : | 3477 |
| coe number : | 725 |
| jecfa number : | 539 |
| fl. number : | 12.022 |
| molar refractivity : | 36.29 ± 0.3 cm3 |
| parachor : | 289.7 ± 4.0 cm3 |
| index of refraction : | 1.499 ± 0.02 |
| surface tension : | 30.3 ± 3.0 dyne/cm |
| density : | 0.990 ± 0.06 g/cm3 |
| polarizability : | 14.38 ± 0.5 10-24cm3 |
| XlogP : | 2.10 |
| XlogP3-AA : | 1.70 |
| molecular weight : | 122.2522000 (IUPAC) |
| formula : | C4 H10 S2 |
| NMR Predictor : | Predict |
|
|
| |
| |
| export tariff code : | unspecified |
| fda reg : | unspecified |
Suppliers :
|
| Fleurchem : | 2,3-butanedithiol
|
| Penta : | 2,3-butanedithiol
|
| Sigma-Aldrich-SAFC : | 2,3-Butanedithiol
≥99%, Kosher, FG |
| TCI AMERICA : | 2,3-Butanedithiol
>98.0%(GC) |
organoleptics :
|
| odor type : | sulfurous |
| odor strength : | high , recommend smelling in a 0.10 % solution or less |
odor description : at 0.10 % in propylene glycol. | meaty beefy |
properties :
|
| appearence : | colorless clear liquid |
| assay : | 99.00 to 100.00 %
|
| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.99500 to 0.99700 @ 20.00 °C.
|
| pounds per gallon - calc. : | 8.289 to 8.306
|
| refractive index : | 1.51700 to 1.52700 @ 20.00 °C.
|
| boiling point : | 86.00 to 87.00 °C. @ 50.00 mm Hg
|
| boiling point : | 69.00 to 70.00 °C. @ 28.00 mm Hg
|
| flash point : | 126.00 °F. TCC ( 52.22 °C. )
|
| logP (o/w) : | 2.00 |
safety :
|
| most important hazard(s) : | Xn - Harmful. |
| |
R 10 - Flammable. R 22 - Harmful if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 20/21 - When using do not eat, drink or smoke. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
|
| Oral Toxicity(LD50) : |
| |
Not determined
|
| Dermal Toxicity(LD50) : |
| |
Not determined
|
| Inhalation Toxicity(LC50) : |
| |
Not determined
|
| |
safety in use :
|
| Maximised Survey-derived Daily Intakes (MSDI-EU) : | 0.049 (μg/capita/day) |
| |
| recommendation for 2,3-butane dithiol usage levels up to : |
| | not for fragrance use.
|
safety references :
|
| European Food Safety Athority(efsa) : | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| EPI System : | view |
| Canada Domestic Sub. List : | Yes |
| EPA Chem. Sub. Inventory : | Yes |
| WISER : | UN 3336 |
| |
| WGK Germany : | 3 |
| |
| |
| |
| | butane-2,3-dithiol
|
| (EINECS) number : | 224-870-8 |
| chemidplus : | 004532643 |
| EPA Substance Registry Services : | 4532-64-3 |
references :
|
| | butane-2,3-dithiol
|
| fl. number : | 12.022 |
| jecfa number : | 539 |
| NIST Chemistry WebBook : | 4532643 |
| pubchem : | 203996 |
other :
|
| FDA Everything Added to Food in the United States (EAFUS) | View |