allyl sulfide
2-propenyl sulfide
Identification
| Name | allyl sulfide |
| IUPAC | 3-prop-2-enylsulfanylprop-1-ene |
| CAS Number | 592-88-1 |
| EINECS | 209-775-1 |
| FDA UNII | 60G7CF7CWZ |
| Molecular Formula | C6 H10 S |
| Molecular Weight | 114.21070000 |
| MDL Number | MFCD00008658 |
| Nikkaji Number | J6.765B |
| Beilstein | 1736016 |
| CoE Number | 11846 |
Regulatory
| JECFA Food Flavoring | 458 allyl sulfide |
| DG SANTE Food Flavourings | 12.088 diallyl sulfide |
| FEMA Number | 2042 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 592-88-1 ; ALLYL SULFIDE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.88700 to 0.89200 @ 25.00 °C. |
| Pounds per Gallon - (est). | 7.381 to 7.422 |
| Refractive Index | 1.48800 to 1.49200 @ 20.00 °C. |
| Melting Point | -83.00 °C. @ 760.00 mm Hg |
| Boiling Point | 138.00 to 139.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 9.220000 mmHg @ 25.00 °C. |
| Vapor Density | 3.9 ( Air = 1 ) |
| Flash Point | 113.00 °F. TCC ( 45.00 °C. ) |
| logP (o/w) | 2.610 |
| Soluble in | alcohol |
| Insoluble in | water |
| Similar Items | note |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Pungent, sulfurous, onion-garlic and horseradish-like with a metallic nuance horseradish; green; alliaceous (onion, garlic)
|
| Taste Description | at 2.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | oral-rat LD50 2980 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents and cosmetic fragrance agents |
| IFRA Purity Specification | < 0.1% free allyl alcohol |
| Recommendation for allyl sulfide usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 15.44 (μg/capita/day) |
| Maximised Survey-derived Daily Intakes (MSDI-USA) | 0.40 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 1413 (μg/person/day) |
| Threshold of Concern | 540 (μg/person/day) |
| Structure Class | II |
| 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 | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
| Dairy products, excluding products of category 02.0 (01.0) | 0.01000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0) | 0.01000 |
| Edible ices, including sherbet and sorbet (03.0) | 0.01000 |
| Processed fruit (04.1) | - |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) | 0.01000 |
| Confectionery (05.0) | 0.04000 |
| Chewing gum (05.3) | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) | 0.01000 |
| Bakery wares (07.0) | 7.67000 |
| Meat and meat products, including poultry and game (08.0) | 9.22000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) | 0.01000 |
| Eggs and egg products (10.0) | 0.01000 |
| Sweeteners, including honey (11.0) | 0.01000 |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0) | 8.90000 |
| Foodstuffs intended for particular nutritional uses (13.0) | - |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1) | 0.01000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) | 0.01000 |
| Ready-to-eat savouries (15.0) | - |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) | 0.01000 |
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