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1,4-dithiane
General Material Information
| Preferred name | 1,4-dithiane |
| Trivial Name | 1,4-Dithiane |
| Short Description | tetrahydro-1,4-dithiane |
| Formula | C4 H8 S2 |
| CAS Number | 505-29-3 |
| FEMA Number | 3831 |
| Flavis Number | 15.066 |
| ECHA Number | 208-007-2 |
| FDA UNII | 3274B1T5A0 |
| Nikkaji Number | J6.222G |
| Beilstein Number | 102553 |
| MDL | MFCD00006658 |
| xLogP3-AA | 1.30 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 456 1,4-dithiane |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 505-29-3 ; 1,4-DITHIANE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Other Information
| (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 |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C01871 |
| HMDB (The Human Metabolome Database): | HMDB31474 |
| FooDB: | FDB008047 |
| Export Tariff Code: | 2934.90.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | 1,4-Dithiane |
Suppliers
| Beijing Lys Chemicals | BOC Sciences |
| Penta International | R C Treatt & Co Ltd |
| Santa Cruz Biotechnology | Sigma-Aldrich: Aldrich |
| Synerzine | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 120.23776245117 |
| Melting Point | 107 to 113°C @ 760 mm Hg |
| Boiling Point | 199 to 200°C @ 760 mm Hg |
| Vapor Pressure | 0.459 mmHg @ 25 °C |
| Flash Point TCC Value | 81.67 °C TCC |
| logP (o/w) | 0.112 est |
| Solubility | |
| alcohol, hot | Yes |
| oils | Yes |
| water, 2.204e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Seafood | |
| sulfurous, solvent, garlic, onion, fermented, mushroom, seafood | |
| General comment | At 0.10 % in propylene glycol. sulfurous solvent garlic onion pyridine |
| Mosciano, Gerard P&F 24, No. 6, 10, (1999) | At 0.10 %. Seafood-like, solvent, garlic and onion, pyridine like |
| Flavor Type: Seafood | |
| onion, garlic, seafood, clam, oyster, fermented, mushroom, turkey | |
| General comment | Onion garlic |
| Mosciano, Gerard P&F 24, No. 6, 10, (1999) | At 0.50 - 10.00 ppm. Seafood-like, clam and oyster fermented garlic and onion, mushroom and turkey |
Potential Uses
| Applications | |
| Flavoring purposes | Clam , Garlic , Horseradish , Mushroom , Oyster , Prawn , Turkey , Vegetable |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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 37/39 - Wear suitable gloves and eye/face protection. | |
| 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: | |
| oral-rat LD50 2768 mg/kg Mosciano, Gerard P&F 24, No. 6, 10, (1999) oral-rat LD50 2768 mg/kg BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA National Technical Information Service. Vol. AD-A172-647 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 1,4-dithiane usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Structure Class: | II | ||
| 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.20000 | 8.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.02000 | 2.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 20.00000 | 20.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | 0.02000 | 1.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf |
| Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008) View page or View pdf |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf |
| EPI System: View |
| EPA-Iris:IRIS |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):505-29-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :10452 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 1,4-dithiane |
| Chemidplus:0000505293 |
| RTECS:JO5069000 for cas# 505-29-3 |