| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 2179-59-1 |
| ECHA EC Number: | 218-550-7 |
| FDA UNII: | 0167D73R1T |
| CoE Number: | 600 |
| Category: | flavoring agents |
| IUPAC Name: | allyl propyl disulfide |
| InChI : | InChI=1/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3 |
| Std.InChI: | InChI=1S/C6H12S2/c1-3-5-7-8-6-4-2/h3H,1,4-6H2,2H3 |
| InChIKey : | FCSSPCOFDUKHPV-UHFFFAOYAQ |
| Std.InChIKey: | FCSSPCOFDUKHPV-UHFFFAOYSA-N |
| SMILES : | CCCSSCC=C |
| MDL: | MFCD00040072 |
| Molar Refractivity : | 45.56 ± 0.3 cm3 (est) |
| Parachor : | 361.1 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.517 ± 0.02 (est) |
| Surface Tension : | 33.0 ± 3.0 dyne/cm (est) |
| Density : | 0.984 ± 0.06 g/cm3 (est) |
| Polarizability : | 18.06 ± 0.5 10-24cm3 (est) |
| Google Scholar: | Search |
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| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
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| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 1700 allyl propyl disulfide |
| DG SANTE Food Flavourings: | 12.021 allyl propyl disulfide |
| FEMA Number: | 4073 allyl propyl disulfide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 2179-59-1 ; ALLYL PROPYL DISULFIDE |
| Appearance: | bright yellow clear oily liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99900 to 1.00500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.313 to 8.363 |
| Refractive Index: | 1.49700 to 1.51700 @ 20.00 °C. |
| Boiling Point: | 195.00 to 200.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.350000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 5.1 ( Air = 1 ) |
| Flash Point: | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w): | 3.890 (est) |
| Soluble in: | |
| alcohol | |
| water, 53.29 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items:note | |
| allyl propyl sulfide | |
| allyl propyl trisulfide | |
| None found |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
| Category: | |||
| flavoring agents | |||
| IFRA Purity Specification: | < 0.1% free allyl alcohol | ||
| Recommendation for allyl propyl disulfide usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.037 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 78 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/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: 22 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.20000 | 1.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 0.10000 | 0.50000 | |
| cheese: | 0.20000 | 1.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.10000 | 0.50000 | |
| confectionery froastings: | 0.20000 | 1.00000 | |
| egg products: | - | - | |
| fats / oils: | 0.10000 | 0.50000 | |
| fish products: | 0.10000 | 0.20000 | |
| frozen dairy: | 0.20000 | 1.00000 | |
| fruit ices: | 0.20000 | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | 0.40000 | 2.00000 | |
| hard candy: | - | - | |
| imitation dairy: | 0.20000 | 1.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | 0.10000 | 0.20000 | |
| milk products: | 0.20000 | 1.00000 | |
| nut products: | - | - | |
| other grains: | 0.10000 | 0.50000 | |
| poultry: | 0.10000 | 0.20000 | |
| processed fruits: | 0.20000 | 1.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.10000 | 0.50000 | |
| snack foods: | 0.10000 | 0.50000 | |
| soft candy: | - | - | |
| soups: | 0.10000 | 0.50000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.10000 | 0.50000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.20000 | 1.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.10000 | 0.50000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.20000 | 1.00000 | |
| Processed fruit (04.1): | 0.20000 | 1.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.20000 | 1.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.10000 | 0.50000 | |
| Bakery wares (07.0): | 0.20000 | 1.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.20000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.20000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.10000 | 0.50000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.20000 | 1.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.10000 | 0.50000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.20000 | 1.00000 | |
| Ready-to-eat savouries (15.0): | 0.40000 | 2.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.10000 | 0.50000 | |
| 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 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 91, Revision 1 (FGE.91Rev1): 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.08Rev3 (2011) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the 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.08Rev5 (2012) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,�-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5 View page or View pdf |
| EPI System: View |
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| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :16591 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| 1-(prop-2-enyldisulfanyl)propane |
| Chemidplus:0002179591 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:2179-59-1 |
| 1-(prop-2-enyldisulfanyl)propane | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2179-59-1 |
| Pubchem (cid): | 16591 |
| Pubchem (sid): | 134981892 |
| (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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33912 |
| FooDB: | FDB012110 |
| Export Tariff Code: | 2930.90.9190 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| allyl propyl disulphide | |
| allylpropyldisulfide | |
| APDS | |
| disulfide, 2-propen-1-yl propyl | |
| disulfide, 2-propenyl propyl | |
| disulfide, allyl propyl | |
| 4,5- | dithia-1-octene |
| prop-2-en-1-yl propyl disulfide | |
| 1-( | prop-2-enyldisulfanyl)propane |
| 2- | propenyl propyl disulfide |
| 2- | propenyl propyl disulphide |
| propyl allyl disulfide | |
| 3-( | propyldisulfanyl)-1-propene |
| 3-( | propyldisulfanyl)prop-1-ene |
| 3-( | propyldithio)prop-1-ene |
| None found yet. Try the PubMed Search. |
