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dipropyl disulfide
General Material Information
| Preferred name | dipropyl disulfide |
| Trivial Name | Dipropyl disulfide |
| Short Description | propyl disulfide |
| Formula | C6 H14 S2 |
| CAS Number | 629-19-6 |
| FEMA Number | 3228 |
| Flavis Number | 12.014 |
| ECHA Number | 211-079-8 |
| FDA UNII | I7K169J70F |
| Nikkaji Number | J43.517A |
| Beilstein Number | 0969200 |
| MDL | MFCD00009378 |
| COE Number | 540 |
| xLogP3-AA | 2.70 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 566 propyl disulfide |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 629-19-6 ; PROPYL DISULFIDE |
| 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): | C08373 |
| HMDB (The Human Metabolome Database): | HMDB31472 |
| FooDB: | FDB008045 |
| Export Tariff Code: | 2930.90.9999 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| FAO: | Propyl disulfide |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 150.30758666992 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.997 to 8.014 |
| Refractive Index | 1.496 to 1.499 @ 20 °C |
| Boiling Point | 193 to 195°C @ 760 mm Hg |
| Vapor Pressure | 0.735 mmHg @ 25 °C |
| Vapor Density | 5.1 |
| Flash Point TCC Value | 63.89 °C TCC |
| logP (o/w) | 4.188 est |
| Solubility | |
| alcohol | Yes |
| oils | Yes |
| water, 39.94 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Alliaceous | |
| sulfurous, earthy, burnt, onion green onion, alliaceous, fresh, scallion, metallic, tropical | |
| General comment | At 0.10 % in propylene glycol. sulfury earthy burnt green onion |
| Mosciano, Gerard P&F 20, No. 3, 63, (1995) | Sulfureous, alliaceous, fresh, green onion, scallion and metallic with a slight tropical nuance |
| Flavor Type: Alliaceous | |
| alliaceous, sulfurous, green, vegetable, asafetida | |
| Mosciano, Gerard P&F 20, No. 3, 63, (1995) | At 10.00 ppm. Alliaceous, sulfureous, green, vegetative and asafetida nuances |
| Used in combination with other sulphides, disulphides, and trisulphides in onion and garlic flavours at up to 3ppm in final product. | Sulfurous |
| General comment | GARLIC,SULFUREOUS,GREEN,VEGETATIVE |
Occurrences
| (data available) |
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 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,F] 2000 mg/kg Reference is dipropyl disulfide (Elf Atochem, 1992) gavage-rat LD50 [sex: M] 6000 mg/kg Value does not represent a true LD50 value. Test conducted with a mixture of seven components. Mixture contained 1.9 % of diisopropyl disulphide. (Rohm & Haas Co., 1980) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.40 (μg/capita/day) | ||
| NOEL (No Observed Effect Level): | 7.3 (mg/kg bw per day) | ||
| Structure Class: | I | ||
| 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: 4 | |||
| Click here to view publication 4 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| 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: | - | 0.30000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | 10.00000 | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 0.30000 | |
| 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 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 |
| 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 |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):629-19-6 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :12377 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 1-propyldisulfanylpropane |
| Chemidplus:0000629196 |
| RTECS:JO1955000 for cas# 629-19-6 |