1,3-propane dithiol

1,3-propanedithiol

CAS: 109-80-8 C3 H8 S2 MW: 108.22676000 meaty

Identification

Name1,3-propane dithiol
IUPACpropane-1,3-dithiol
CAS Number109-80-8
EINECS203-706-9
FDA UNIIR4LUJ82U52
Molecular FormulaC3 H8 S2
Molecular Weight108.22676000
MDL NumberMFCD00004904
Nikkaji NumberJ4.503I
Beilstein1071197
CoE Number11929

Regulatory

JECFA Food Flavoring535 1,3-propanedithiol
DG SANTE Food Flavourings12.076 propane-1,3-dithiol
FEMA Number3588
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)109-80-8 ; 1,3-PROPANEDITHIOL

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, 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
Insoluble in water

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-rat LD50 100 - 200 mg/kg
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for 1,3-propane dithiol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.85 (μg/capita/day)
Structure ClassI
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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Robinson Brothers Limited

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Synerzine, Inc.

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R C Treatt and Co Ltd

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Potential Uses

FL meat

Natural Occurrence

not found in nature

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 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.