EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

1,3-propane dithiol
1,3-propanedithiol

Supplier Sponsors

Name:propane-1,3-dithiol
CAS Number: 109-80-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-706-9
FDA UNII: R4LUJ82U52
Nikkaji Web:J4.503I
Beilstein Number:1071197
MDL:MFCD00004904
CoE Number:11929
XlogP3-AA:1.20 (est)
Molecular Weight:108.22676000
Formula:C3 H8 S2
NMR Predictor:Predict (works with chrome, Edge or firefox)
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:535 1,3-propanedithiol
DG SANTE Food Flavourings:12.076 propane-1,3-dithiol
FEMA Number:3588 1,3-propanedithiol
FDA:No 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
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:
None found
 
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 ppmaverage 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:
 propane-1,3-dithiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:109-80-8
Pubchem (cid):8013
Pubchem (sid):134973858
 
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
CHEBI:View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB31632
FooDB:FDB008277
Export Tariff Code:2930.90.9190
ChemSpider:View
FAO:1,3-Propanedithiol
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
burnt
rum ether
FL/FR
coffee
coffee difuran
FL/FR
2-
methyl-3-,5 or 6-(furfuryl thio) pyrazine
FL/FR
meaty
meaty dithiane
FL/FR
4-
methyl nonanoic acid
FL/FR
sulfuryl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-(methyl thio) pyrazine
FL/FR
sulfurous
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
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
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
propyl 2-methyl-3-furyl disulfide
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:
FLmeat
 
Occurrence (nature, food, other):note
 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
 

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.
 
Notes:
Flavouring ingredient 1,3-Propanedithiol is the chemical compound with the formula HSCH2CH2CH2SH. This dithiol is a useful reagent in organic synthesis. This liquid, which is readily available commercially, has an intense stench.
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