| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2179-57-9 |
| ECHA EC Number: | 218-548-6 |
| FDA UNII: | 5HI47O6OA7 |
| CoE Number: | 485 |
| Category: | flavoring agents and cosmetic fragrance agents |
| IUPAC Name: | allyl disulfide |
| InChI : | InChI=1/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2 |
| Std.InChI: | InChI=1S/C6H10S2/c1-3-5-7-8-6-4-2/h3-4H,1-2,5-6H2 |
| InChIKey : | PFRGXCVKLLPLIP-UHFFFAOYAX |
| Std.InChIKey: | PFRGXCVKLLPLIP-UHFFFAOYSA-N |
| SMILES : | C=CCSSCC=C |
| MDL: | MFCD00008656 |
| Molar Refractivity : | 45.29 ± 0.3 cm3 (est) |
| Parachor : | 350.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.534 ± 0.02 (est) |
| Surface Tension : | 33.3 ± 3.0 dyne/cm (est) |
| Density : | 1.003 ± 0.06 g/cm3 (est) |
| Polarizability : | 17.95 ± 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: | 572 allyl disulfide |
| DG SANTE Food Flavourings: | 12.008 diallyl disulfide |
| FEMA Number: | 2028 allyl disulfide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2179-57-9 ; ALLYL DISULFIDE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Appearance: | pale yellow clear liquid (est) |
| Assay: | 80.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.00900 to 1.02200 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.406 to 8.514 |
| Refractive Index: | 1.54000 to 1.54500 @ 20.00 °C. |
| Boiling Point: | 138.00 to 139.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 79.00 °C. @ 16.00 mm Hg |
| Vapor Pressure: | 0.976000 mmHg @ 20.00 °C. |
| Vapor Density: | 5.2 ( Air = 1 ) |
| Flash Point: | 121.00 °F. TCC ( 49.44 °C. ) |
| logP (o/w): | 3.500 (est) |
| Soluble in: | |
| alcohol | |
| oils | |
| water, 71.1 mg/L @ 25 °C (est) | |
| Similar Items:note | |
| allyl sulfide | |
| allyl trisulfide | |
| CosIng: | cosmetic data |
| Cosmetic Uses: | perfuming agents |
| Preferred SDS: View | |
| European information : | |
| 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 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. | |
| 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 [sex: M] 260 mg/kg Paper reports compound as allyl sulfide (Moreno, 1980h) oral-rat LD50 > 5000 mg/kg Value does not represent an LD50 value. Value reported is an LD100 value (Platte Chemical Co., 1995) oral-rat LD50 260 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 297, 1988. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 3600 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 297, 1988. | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents and cosmetic fragrance agents | |||
| IFRA Purity Specification: | < 0.1% free allyl alcohol | ||
| Recommendation for allyl disulfide usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 58.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 6.50000 | |
| 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: | - | 7.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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 |
| Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) 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 |
| Scientific Opinion on the safety and efficacy of aliphatic and aromatic mono- and di-thiols and mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups (chemical group 20) when used as flavourings for all animal species View page or View pdf |
| Review of substances/agents that have direct beneficial effect on the environment: mode of action and assessment of efficacy View page or View pdf |
| EPI System: View |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2179-57-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :16590 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 2810 |
| WGK Germany:3 |
| 3-prop-2-enyldisulfanylprop-1-ene |
| Chemidplus:0002179579 |
| RTECS:BB1000000 for cas# 2179-57-9 |
| 3-prop-2-enyldisulfanylprop-1-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2179-57-9 |
| Pubchem (cid): | 16590 |
| Pubchem (sid): | 134981891 |
| (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): | C08369 |
| HMDB (The Human Metabolome Database): | HMDB33966 |
| FooDB: | FDB019390 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Allyl disulfide |
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| allyl disulphide | |
| 3-( | allyldisulfanyl)-1-propene |
| 3-( | allyldisulfanyl)prop-1-ene |
| di-2-propenyl disulfide | |
| di(2-propenyl) disulfide | |
| diallyl disulfide | |
| diallyl disulphide | |
| diallyldisulfide | |
| diprop-2-en-1-yl disulfide | |
| 3,3'- | disulfanediylbis(prop-1-ene) |
| disulfide, di-2-propen-1-yl | |
| disulfide, diallyl | |
| 4,5- | dithia-1,7-octadiene |
| 3,3'- | dithiobis(prop-1-ene) |
| 3-( | prop-2-en-1-yldisulfanyl)prop-1-ene |
| 3- | prop-2-enyldisulfanylprop-1-ene |
| 2- | propenyl disulfide |
| 2- | propenyl disulphide |
