| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 6628-18-8 |
| FDA UNII: | D37463NMIR |
| Category: | flavoring agents |
| IUPAC Name: | 2,5-dithiahexane |
| InChI : | InChI=1/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3 |
| Std.InChI: | InChI=1S/C4H10S2/c1-5-3-4-6-2/h3-4H2,1-2H3 |
| InChIKey : | UJTDKNZVLGVLFT-UHFFFAOYAK |
| Std.InChIKey: | UJTDKNZVLGVLFT-UHFFFAOYSA-N |
| SMILES : | CSCCSC |
| Molar Refractivity : | 36.57 ± 0.3 cm3 (est) |
| Parachor : | 292.6 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.508 ± 0.02 (est) |
| Surface Tension : | 32.5 ± 3.0 dyne/cm (est) |
| Density : | 0.997 ± 0.06 g/cm3 (est) |
| Polarizability : | 14.49 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1707 2,5-dithiahexane |
| FEMA Number: | 4298 2,5-dithiahexane |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 6628-18-8 ; 2,5-DITHIAHEXANE |
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 99.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.03900 to 1.04900 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.646 to 8.729 |
| Refractive Index: | 1.52600 to 1.53300 @ 20.00 °C. |
| Boiling Point: | 178.00 to 180.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.428000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 139.00 °F. TCC ( 59.44 °C. ) |
| logP (o/w): | 1.538 (est) |
| Soluble in: | |
| alcohol | |
| water, 5188 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| None found |
| Axsyn |
| For experimental / research use only. |
| 2,5-Dithiahexane |
| Parchem |
| 2,5-dithiahexane |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the Chemical Sources Association |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| Recommendation for 2,5-dithiahexane usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 23 | |||
| Click here to view publication 23 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.02000 | 0.20000 | |
| confectionery froastings: | - | - | |
| egg products: | 0.02000 | 0.20000 | |
| fats / oils: | - | - | |
| fish products: | 0.02000 | 0.20000 | |
| frozen dairy: | 0.02000 | 0.10000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.02000 | 0.20000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.02000 | 0.20000 | |
| milk products: | 0.01000 | 0.10000 | |
| nut products: | 0.01000 | 0.10000 | |
| other grains: | - | - | |
| poultry: | 0.02000 | 0.20000 | |
| processed fruits: | - | - | |
| processed vegetables: | 0.01000 | 0.10000 | |
| reconstituted vegetables: | 0.01000 | 0.10000 | |
| seasonings / flavors: | 10.00000 | 50.00000 | |
| snack foods: | 0.02000 | 0.10000 | |
| soft candy: | - | - | |
| soups: | 0.02000 | 0.10000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :23110 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1,2-bis(methylsulfanyl)ethane |
| Chemidplus:0006628188 |
| 1,2-bis(methylsulfanyl)ethane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 23110 |
| Pubchem (sid): | 134988439 |
| Pherobase: | View |
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB31708 |
| FooDB: | FDB008371 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| found in nature |
| ethane, 1,2-bis(methylthio)- | |
| 1,2-bis( | methyl mercapto) ethane |
| 1,2-bis( | methyl thio) ethane |
| 1,2-bis( | methylsulfanyl)ethane |
| 1,2-bis( | methylthio)ethane |
| None found yet. Try the PubMed Search. |
