|
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 96.00 to 100.00 %
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.07700 to 1.07800 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 8.962 to 8.970
|
| Refractive Index: | 1.53700 to 1.53900 @ 20.00 °C.
|
| Melting Point: | -79.00 °C. @ 760.00 mm Hg
|
| Boiling Point: | 169.00 to 173.00 °C. @ 760.00 mm Hg
|
| Boiling Point: | 105.00 °C. @ 100.00 mm Hg
|
| Vapor Pressure: | 1.952000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 142.00 °F. TCC ( 61.11 °C. )
|
| logP (o/w): | 1.730 (est) |
| Soluble in: |
| | alcohol | | | fats | | | water, 3880 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| |
| Odor Type: meaty |
| |
| | meaty sulfurous |
Odor Description: at 0.10 % in propylene glycol. | meaty sulfurous |
| |
| Odor and/or flavor descriptions from others (if found). |
| |
| |
Cosmetic Information:
Suppliers:
| Ambles Nature et Chimie |
| 1.3-PROPANEDITHIOL
|
| Beijing Lys Chemicals |
| 1,3-Propanedithiol
|
| BOC Sciences |
| For experimental / research use only. |
| 1,3-Propanedithiol
|
| DeLong Chemicals America |
| 1,3-Propanedithiol, Kosher
|
| Endeavour Specialty Chemicals |
| 1,3-Propanedithiol 98%
|
| Speciality Chemical Product Groups |
| M&U International |
| 1,3-PROPANEDITHIOL, Kosher
|
| Penta International |
| 1,3-PROPANEDITHIOL
|
| R C Treatt & Co Ltd |
| 1,3-Propanedithiol
|
| Robinson Brothers |
| 1,3-Propanedithiol
|
| https://www.robinsonbrothers.uk/chemistry-competences |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 1,3-propanedithiol
|
| Sigma-Aldrich |
| 1,3-Propanedithiol, ≥96%, FG
Odor: meaty |
| Certified Food Grade Products |
| Sunaux International |
| 1,3-Propanedithiol
|
| Synerzine |
| 1,3-PROPANEDITHIOL
|
| TCI AMERICA |
| For experimental / research use only. |
| 1,3-Propanedithiol >97.0%(GC)(T)
|
| Tengzhou Jitian Aroma Chemiclal |
| 1,3-Propanedithiol
|
| Tianjin Danjun International |
| 1,3-Propanedithiol
|
| WholeChem |
| 1,3-Propanedithiol
|
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 03/07/09 - Keep container tightly closed in cool, well-ventilated place. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing.
|
| |
| 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 100 - 200 mg/kg (Eastman Kodak Co., 1955b)
oral-mouse LD50 1070 mg/kg Reported as ALD (Approximate Lethal Dose) (Schafer & Bowles, 1985)
intravenous-cat LD50 28 mg/kg BEHAVIORAL: TREMOR
GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS
BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Journal of Pharmacology and Experimental Therapeutics. Vol. 87(Suppl), Pg. 6, 1946.
oral-mouse LDLo 1070 mg/kg Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985.
|
| Dermal Toxicity: |
|
Not determined
|
| Inhalation Toxicity: |
|
Not determined
|
Safety in Use Information:
| Category: | flavoring agents |
| Recommendation for 1,3-propane dithiol usage levels up to: | | | not for fragrance use.
|
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.85 (μg/capita/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: 11 |
| Click here to view publication 11 |
| | average usual ppm | average maximum ppm |
| baked goods: | - | 0.20000 |
| 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: | - | 0.20000 |
| hard candy: | - | - |
| imitation dairy: | - | - |
| instant coffee / tea: | - | - |
| jams / jellies: | - | - |
| meat products: | - | 0.20000 |
| milk products: | - | - |
| nut products: | - | 0.20000 |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | 0.20000 |
| soft candy: | - | - |
| soups: | - | 0.20000 |
| 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 |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 109-80-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 8013 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| | propane-1,3-dithiol |
| Chemidplus: | 0000109808 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | TZ2585500 for cas# 109-80-8 |
References:
Other Information:
Potential Blenders and core components note
| |
| For Odor |
| alliaceous |
| | dimethyl trisulfide | FL/FR |
| | rum ether | FL/FR |
| coffee |
| | coffee difuran | FL/FR |
| 2- | methyl-3-,5 or 6-(furfuryl thio) pyrazine | FL/FR |
| | meaty dithiane | FL/FR |
| 4- | methyl nonanoic acid | FL/FR |
| | sulfuryl acetate | FL/FR |
| | hazelnut pyrazine | FL/FR |
| 4,5- | dimethyl-2-ethyl-3-thiazoline | FL/FR |
| 2- | methyl pyrazine | FL/FR |
| 2- | methyl-3-(methyl thio) pyrazine | FL/FR |
| | benzothiazole | FL/FR |
| | ethyl 3-mercaptopropionate | FL/FR |
| | fish thiol | FL/FR |
| 2- | mercaptopropionic acid | FL/FR |
| 4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
| 1- | phenethyl mercaptan | FL/FR |
| tobacco |
| | methyl benzoxole | FL/FR |
| |
| For Flavor |
| |
| No flavor group found for these |
| 4- | acetyl-2-methyl pyrimidine | FL |
| gamma- | aminobutyric acid | FL |
| | amyl mercaptan | FL |
| 1,2- | butane dithiol | FL |
| 2-(2- | butyl)-4,5-dimethyl-3-thiazoline | FL |
| | cyclopropyl (E,Z)-2,6-nonadienamide | FL |
| 2,5- | diethyl thiazole | FL |
| | dimethyl tetrasulfide | FL |
| 2,6- | dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone | FL |
| bis(2,5- | dimethyl-3-furyl) disulfide | FL |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofuran thiol | FL |
| (Z+E)-2,5- | dimethyl-3-thioacetoxytetrahydrofuran | FL |
| 2,5- | dimethyl-3-thiofuroyl furan | FL |
| | ethyl (E,Z)-2,6-nonadienamide | FL |
| S- | ethyl 2-acetyl aminoethane thioate | FL |
| | ethyl 3-mercaptopropionate | FL/FR |
| | ethyl 4-(acetyl thio) butyrate | FL |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline | FL |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline | FL |
| 4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
| | methyl dihydrofuran thiol | FL |
| 2- | methyl thiazolidine | FL |
| 2-( | methyl thio) ethanol | FL |
| 2- | methyl-3-,5 or 6-(furfuryl thio) pyrazine | FL/FR |
| 2- | methyl-3-(methyl thio) pyrazine | FL/FR |
| 2- | methyl-3-furyl tetrasulfide | FL |
| 3-((2- | methyl-3-furyl)thio)-4-heptanone | FL |
| 4-((2- | methyl-3-furyl)thio)-5-nonanone | FL |
| 1,9- | nonane dithiol | FL |
| | peanut dithiazine | FL |
| 1- | phenethyl mercaptan | FL/FR |
| | propyl 2-methyl-3-furyl disulfide | FL |
| iso | propyl disulfide | FL |
| | thiazole | FL |
| 3- | thienyl mercaptan | FL |
|
| N-(2-(3,4- | dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide | FL |
| 3,7- | dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide | FL |
| 4- | mercapto-2-pentanone 1% in acetoin | FL |
| 2- | methyl-1-methyl thio-2-butene | FL |
| | pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine | FL |
| 1-(2- | thienyl) butanone | FL |
| alliaceous |
| 1,3- | butane dithiol | FL |
| | dimethyl trisulfide | FL/FR |
| 3- | tetrahydrothiophenone | FL |
| burnt |
| | bacon dithiazine | FL |
| 1,6- | hexane dithiol | FL |
| | rum ether | FL/FR |
| chemical |
| 2,5- | dimethyl furan | FL |
| cocoa |
| | butyraldehyde | FL |
| coffee |
| | coffee difuran | FL/FR |
| earthy |
| | difurfuryl sulfide | FL |
| 1,8- | octane dithiol | FL |
| eggy |
| iso | propyl mercaptan | FL |
| fatty |
| (E,E)-2,4- | decadienal | FL |
| 4- | methyl nonanoic acid | FL/FR |
| 2- | pentyl thiophene | FL |
| green |
| 4- | penten-1-yl acetate | FL |
| herbal |
| | massoia bark oil | FL |
| meaty |
| 4- | allyl-2,6-dimethoxyphenol | FL |
| | benzothiazole | FL/FR |
| 2,6- | dimethyl thiophenol | FL |
| 2,5- | dimethyl-3-furan thiol | FL |
| 1,1- | ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% | FL |
| 4- | furfuryl thio-2-pentanone | FL |
| | meaty dithiane | FL/FR |
| (R,S)-2- | mercapto-3-butanol | FL |
| 2- | mercaptomethyl pyrazine | FL |
| 2- | mercaptopropionic acid | FL/FR |
| 2- | methyl 3-(methyl thio) furan | FL |
| 12- | methyl tridecanal | FL |
| bis(2- | methyl-3-furyl) disulfide | FL |
| S-(2- | methyl-3-furyl) ethane thioate | FL |
| 2- | methyl-3-tetrahydrofuran thiol | FL |
| | propyl 2-mercaptopropionate | FL |
| | pyrazinyl ethane thiol | FL |
| 2- | pyridinyl methane thiol | FL |
| | sulfuryl acetate | FL/FR |
| | thialdine | FL |
| ortho- | thiocresol | FL |
| ortho- | thioguaiacol | FL |
| metallic |
| 2,5- | dihydroxy-1,4-dithiane | FL |
| musty |
| 2- | ethoxythiazole | FL |
| | hazelnut pyrazine | FL/FR |
| nutty |
| 3,5- | diethyl-2-methyl pyrazine | FL |
| 2,5- | diethyl-3-methyl pyrazine | FL |
| 4,5- | dimethyl-2-ethyl-3-thiazoline | FL/FR |
| | methyl benzoxole | FL/FR |
| 2- | methyl pyrazine | FL/FR |
| | nutty thiazole | FL |
| onion |
| | furfuryl isopropyl sulfide | FL |
| | methionol | FL |
| popcorn |
| 2- | propionyl-2-thiazoline | FL |
| roasted |
| | hexyl mercaptan | FL |
| savory |
| N-(2,4- | dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide | FL |
| N-( | heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide | FL |
| N1-(2- | methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide | FL |
| N1-(2- | methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide | FL |
| sulfurous |
| 2,3- | butane dithiol | FL |
| S- | ethyl thioacetate | FL |
| | fish thiol | FL/FR |
| | methyl 2-methyl-3-furyl disulfide | FL |
| 3- | methyl-2-butane thiol | FL |
| 2- | naphthyl mercaptan | FL |
| | roasted butanol | FL |
| 2,4,6- | trithiaheptane 10% in triacetin | FL |
| vegetable |
| | tyramine | FL |
| |
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 1,3- | dimercaptopropane | | 1,3- | dithiolpropane | | | dithiomethyleneglycol | | | dithiotrimethylene glycol | | | dithiotrimethyleneglycol | | 3- | mercaptopropanethiol | | 1,3- | propane dimercaptan | | | propane-1,3-dithiol | | 1,3- | propanedimercaptan | | 1,3- | propanedithiol | | | trimethylene dimercaptan | | | trimethylene dithioglycol | | | trimethylene dithiol | | | trimethylene mercaptan | | | trimethylenedithioglycol | | | trimethylenedithiol | | 1,3- | trimethylenedithiol |
Articles:
| PubMed: | Structural characterization of 1,3-propanedithiols that feature carboxylic acids: Homologues of mercury chelating agents. |
| PubMed: | Chain length and temperature dependence of alkanedithiol molecular conductance under ultra high vacuum. |
| PubMed: | Synthesis of Neoglycoconjugates Containing 4-Amino-4-deoxy-l-arabinose Epitopes Corresponding to the Inner Core of Burkholderia and Proteus Lipopolysaccharides. |
| PubMed: | A label-free electrochemiluminescence aptasensor for thrombin based on novel assembly strategy of oligonucleotide and luminol functionalized gold nanoparticles. |
| PubMed: | Partitioning of dissolved organic matter-bound mercury between a hydrophobic surface and polysulfide-rubber polymer. |
| PubMed: | In vitro efficacy of bismuth thiols against biofilms formed by bacteria isolated from human chronic wounds. |
| PubMed: | Novel epoxide formation in the reaction of 2-bromo-3-methyl-1,4-naphthoquinone with 1,3-propanedithiol. |
| PubMed: | Cross-linking of dithiols by mitomycin C. |
| PubMed: | Experimental and theoretical investigation of effect of spacer arm and support matrix of synthetic affinity chromatographic materials for the purification of monoclonal antibodies. |
| PubMed: | New bisphosphorothioates and bisphosphoroamidates: synthesis, molecular modeling and determination of insecticide and toxicological profile. |
| PubMed: | Preparation and application of odorless 1,3-propanedithiol reagents. |
| PubMed: | Dithiolate complexes of manganese and rhenium: X-ray structure and properties of an unusual mixed valence cluster Mn3(CO)6(mu-eta2-SCH2CH2CH2S)3. |
| PubMed: | Studies of C-S bond cleavage reactions of Re(V) dithiolates: synthesis, reactivity, and mechanism. |
| PubMed: | Chemoselective thioacetalization in water: 3-(1,3-dithian-2-ylidene)pentane- 2,4-dione as an odorless, efficient, and practical thioacetalization reagent. |
| PubMed: | Rhenium(V) complexes with thiolato and dithiolato ligands: synthesis, structures, and monomerization reactions. |
| PubMed: | Sensitive method for the determination of roxarsone using solid-phase microextraction with multi-detector gas chromatography. |
| PubMed: | The first nonthiolic, odorless 1,3-propanedithiol equivalent and its application in thioacetalization. |
| PubMed: | Effects of various thiol molecules added on morphology of dendrimer-gold nanocomposites. |
| PubMed: | Quantitation of 2-chlorovinylarsonous acid in human urine by automated solid-phase microextraction--gas chromatography--mass spectrometry. |
| PubMed: | Synthesis and characterization of dimetallic oxorhenium(V) and dioxorhenium(VII) compounds, and a study of stoichiometric and catalytic reactions. |
| PubMed: | The RS-.HSR Hydrogen Bond: acidities of alpha,omega-dithiols and electron affinities of their monoradicals. |
| PubMed: | Kinetic constraints for the thiolysis of 4-methyl-5-(pyrazin-2-yl)-1,2-dithiole-3-thione (oltipraz) and related dithiole-3-thiones in aqueous solution. |
| PubMed: | Syntheses and experimental studies on the relative stabilities of spiro, ansa, and bridged derivatives of cyclic tetrameric fluorophosphazene. |
| PubMed: | Determination of lewisite oxide in soil using solid-phase microextraction followed by gas chromatography with flame photometric or mass spectrometric detection. |
| PubMed: | Contribution of dithiol ligands to in vitro and in vivo trypanocidal activities of dithiaarsanes and investigation of ligand exchange in an aqueous solution. |
| PubMed: | Synthesis and in vitro anthelmintic properties of some new dithiaarsanes. |
| PubMed: | Desulfovibrio desulfuricans iron hydrogenase: the structure shows unusual coordination to an active site Fe binuclear center. |
| PubMed: | Purification and characterization of a flavoprotein involved in the degradation of epoxyalkanes by Xanthobacter Py2. |
| PubMed: | Determination of organoarsenicals in the environment by solid-phase microextraction-gas chromatography-mass spectrometry. |
| PubMed: | Enhancement of bismuth antibacterial activity with lipophilic thiol chelators. |
| PubMed: | Specificity and directionality of thiol effects on sinusoidal glutathione transport in rat liver. |
| PubMed: | Somatostatin depleting potency of cysteamine-related thiols and amines in the rat: structure-activity relation. |
| PubMed: | Arabinofuranosylpyrrolo[2,3-d]pyrimidines as potential agents for human cytomegalovirus infections. |
| PubMed: | Inhibition of glucokinase by alloxan through interaction with SH groups in the sugar-binding site of the enzyme. |
| PubMed: | A new electrophoretic method for determining ligand: technetium stoichiometry in carrier free 99mTc-radiopharmaceuticals. |
| PubMed: | [Synthesis of 2-amino-1,3-propanedithiol and related compounds]. |
| PubMed: | X-ray diffraction powder studies of some dithiol diesters of long chain acids. |
|