Articles:
dipropyl thiosulfonate
Notes:
Used as a food additive [EAFUS]
-
Chemical sources Association Inc Exchange of knowledge Need This Item for Flavor? You can contact the Chemical Sources Association. Events Links Product(s):
-
| CAS Number: | 1113-13-9 |  3D/inchi
|
| FDA UNII: | H5E892YJGG | |
| XlogP3-AA: | 1.80 (est) | |
| Molecular Weight: | 182.30598000 | |
| Formula: | C6 H14 O2 S2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | No longer supported by Industry (DG SANCO, 2013b). (Flavour Industry, 2007b). | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| 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: | 1702 propyl propane thiosulfonate |
| DG SANTE Food Flavourings: | 12.272 propyl propanethiosulfonate |
| FEMA Number: | 4263 propyl propane thiosulfonate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 1113-13-9 ; PROPYL PROPANE THIOSULFONATE |
Physical Properties:
| Appearance: | colorless to yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.11900 to 1.12300 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 9.311 to 9.344 |
| Refractive Index: | 1.48100 to 1.48800 @ 20.00 °C. |
| Boiling Point: | 113.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 285.00 °F. TCC ( 140.56 °C. ) |
| logP (o/w): | 2.285 (est) |
| Soluble in: | |
| alcohol, slightly | |
| water, slightly | |
| water, 631.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: alliaceous | |
| Odor Strength: | high , recommend smelling in a 0.10 % solution or less |
| roasted alliaceous | |
| Odor Description: at 0.10 % in propylene glycol. | roasted alliaceous |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Axsyn |
| For experimental / research use only. |
| 1-Propanesulfonothioic acid, S-propyl ester |
| Chemical Sources Association |
| Need This Item for Flavor/Food?: You can contact the CSA |
Safety Information:
| 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 | |
Safety in Use Information:
| Category: | flavoring agents | ||
| Recommendation for propyl propane thiosulfonate usage levels up to: | |||
| not for fragrance use. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.012 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 90 (μg/person/day) | ||
| Structure Class: | III | ||
| 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: 23 | |||
| Click here to view publication 23 | |||
| 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: | 0.01000 | 1.00000 | |
| 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: | 0.01000 | 1.00000 | |
| snack foods: | 0.01000 | 1.00000 | |
| soft candy: | - | - | |
| soups: | 0.01000 | 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 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 | |
| Statement on List of Representative Substances for Testing.
The current Statement lays down a list of substances in sub-groups with representative substances for which additional data are required prior to their evaluation through the Procedure (Regulation (EC) No 1565/2000). 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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 529388 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-propylsulfonylsulfanylpropane | |
| Chemidplus: | 0001113139 |
References:
| 1-propylsulfonylsulfanylpropane | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 529388 |
| Pubchem (sid): | 11077363 |
| Pherobase: | View |
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 |
| HMDB (The Human Metabolome Database): | HMDB32496 |
| FooDB: | FDB010144 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| For Flavor | ||
| No flavor group found for these | ||
| 3,6- | diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri | FL |
| 3-( | ethyl thio) butanol | FL |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline | FL |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline | FL |
| 1- | phenyl-3(5)-propyl pyrazole | FL |
| 3-iso | propenyl pentane dioic acid | FL |
| 5- | acetyl-2,3-dihydro-1,4-thiazine | FL |
| S- | allyl-laevo-cysteine | FL |
| (±)-3-( | methyl thio) heptanal | FL |
| 3-( | methyl thio) methyl thiophene | FL |
| 2- | methyl-1-methyl thio-2-butene | FL |
| pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine | FL | |
| meaty | ||
| propyl 2-mercaptopropionate | FL | |
| nutty | ||
| 2- | butyl-2-butenal | FL |
| roasted | ||
| lactoyl ethanolamine | FL | |
| lactoyl ethanolamine phosphate | FL | |
| sulfurous | ||
| 2,4,6- | trithiaheptane 10% in triacetin | FL |
Potential Uses:
| meat | FL | |
| onion | FL |
Occurrence (nature, food, other): note
| onion Search Trop Picture | |
| scallion Search Trop Picture |
Synonyms:
| dipropyl thiosulfonate | |
| 1- | propanesulfonothioic acid, S-propyl ester |
| S- | propyl propane-1-sulfonothioate |
| propyl propanethiosulfonate | |
| 1- | propylsulfonylsulfanylpropane |