1,2-propane dithiol
1,2-propanedithiol
Identification
| Name | 1,2-propane dithiol |
| IUPAC | propane-1,2-dithiol |
| CAS Number | 814-67-5 |
| EINECS | 212-398-5 |
| FDA UNII | GS64223D79 |
| Molecular Formula | C3 H8 S2 |
| Molecular Weight | 108.22676000 |
| MDL Number | MFCD00022073 |
| Nikkaji Number | J43.574K |
| Beilstein | 1731080 |
| CoE Number | 11564 |
Regulatory
| JECFA Food Flavoring | 536 1,2-propanedithiol |
| DG SANTE Food Flavourings | 12.070 propan-1,2-dithiol |
| FEMA Number | 3520 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 814-67-5 ; 1,2-PROPANEDITHIOL |
Physical Properties
| Appearance | blue clear liquid (est) |
| Assay | 96.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.07500 to 1.08100 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.945 to 8.995 |
| Refractive Index | 1.53100 to 1.54100 @ 20.00 °C. |
| Boiling Point | 152.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 3.944000 mmHg @ 25.00 °C. (est) |
| Flash Point | 95.00 °F. TCC ( 35.00 °C. ) |
| logP (o/w) | 1.933 (est) |
| Soluble in | oils |
| Insoluble in | water |
No sensory data available
Safety Information
| Preferred SDS | View |
| Oral/Parenteral Toxicity | oral-mouse LD50 [sex: M,F] 153 mg/kg |
| Dermal Toxicity | Not determined |
| 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 |
| Recommendation for 1,2-propane dithiol usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | ND (μg/capita/day) |
| Structure Class | I |
| 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 | - |
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Potential Uses
Natural Occurrence
Synonyms
1,2-
dimercaptopropane
2,3-
dimercaptopropane
1,2-
dithiol propane
1,2-
dithiolpropane
1-
methyl-1,2-ethane dithiol
1-
methyl-1,2-ethanedithiol
propan-1,2-dithiol
1,2-
propandithiol
propane-1,2-dithiol
1,2-
propanedithiol
PubMed:
Substituent effects on the binding constants of arsenical-dithiol adducts.
PubMed:
Activation energies and formation rate constants for organic arsenical-antidote adducts as determined by dynamic NMR spectroscopy.