1,8-octane dithiol

1,8-octanedithiol

CAS: 1191-62-4 C8 H18 S2 MW: 178.36146000 sulfurous earthy

Identification

Name1,8-octane dithiol
IUPACoctane-1,8-dithiol
CAS Number1191-62-4
EINECS214-738-8
FDA UNIIKH3W3161HS
Molecular FormulaC8 H18 S2
Molecular Weight178.36146000
MDL NumberMFCD00003574
Nikkaji NumberJ86.719E
Beilstein1735431
CoE Number2331

Regulatory

JECFA Food Flavoring541 1,8-octanedithiol
DG SANTE Food Flavourings12.034 octane-1,8-dithiol
FEMA Number3514
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)1191-62-4 ; 1,8-OCTANEDITHIOL

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 99.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.96500 to 0.97500 @ 25.00 °C.
Pounds per Gallon - (est). 8.030 to 8.113
Refractive Index 1.50100 to 1.50700 @ 20.00 °C.
Melting Point 0.90 °C. @ 760.00 mm Hg
Boiling Point 142.00 °C. @ 30.00 mm Hg, 269.00 to 270.00 °C. @ 760.00 mm Hg
Vapor Pressure 0.012000 mmHg @ 25.00 °C. (est)
Flash Point 235.00 °F. TCC ( 112.78 °C. )
logP (o/w) 4.214 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.
Taste Description
earthy mushroom fatty meaty
Earthy/mushroom; sweet/fatty/meaty, on dilution

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicityoral-mouse LD50 [sex: M,F (5/sex/group)] 882 (940 M, 1300 F) 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 1,8-octane dithiol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)2.10 (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-

Beijing Lys Chemicals Co, LTD.

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Endeavour Specialty Chemicals Ltd

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Robinson Brothers Limited

Providing Excellence in Chemistry

Award-winning UK chemical manufacturer of chemical intermediates and high-impact aroma chemicals.

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Sigma-Aldrich

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R C Treatt and Co Ltd

Innovative ingredient solutions

World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.

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WholeChem, LLC

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Potential Uses

FL meat FL mushroom

Natural Occurrence

not found in nature

Synonyms

1,8- dimercaptooctane 1,8- dioctyl mercaptan octamethylene dimercaptan 1,8- octamethylene dithiol 1,8- octamethylenedithiol octane-1,8-dithiol 1,8- octanedithiol PubMed: Quantitative bimolecular recombination in organic photovoltaics through triplet exciton formation. PubMed: An important side reaction using the thiol, 3,6-dioxa-1,8-octanedithiol (DODT), in 9-fluorenylmethoxycarbonyl-based solid phase peptide synthesis. PubMed: Regioisomer-dependent endo- and exocyclic coordination of bis-dithiamacrocycles. PubMed: Interplay of nanoscale domain purity and size on charge transport and recombination dynamics in polymer solar cells. PubMed: Identification of vibrational signatures from short chains of interlinked molecule-nanoparticle junctions obtained by inelastic electron tunnelling spectroscopy. PubMed: Conductive probe AFM study of Pt-thiol and Au-thiol contacts in metal-molecule-metal systems. PubMed: Anchoring sites to the STM tip can explain multiple peaks in single molecule conductance histograms. PubMed: The effect of solvent additives on morphology and excited-state dynamics in PCPDTBT:PCBM photovoltaic blends. PubMed: Oxidation of 3,6-dioxa-1,8-octanedithiol by platinum(IV) anticancer prodrug and model complex: kinetic and mechanistic studies. PubMed: Performance characteristics of polymer photovoltaic solar cells with an additive-incorporated active layer. PubMed: Green polymer chemistry: living dithiol polymerization via cyclic intermediates. PubMed: Preparation of a polymeric ionic liquid-coated solid-phase microextraction fiber by surface radical chain-transfer polymerization with stainless steel wire as support. PubMed: Probing the nanoscale phase separation and photophysics properties of low-bandgap polymer:fullerene blend film by near-field spectroscopic mapping. PubMed: Influence of different spacer arms on Mimetic Ligand™ A2P and B14 membranes for human IgG purification. PubMed: Gap size dependent transition from direct tunneling to field emission in single molecule junctions. 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: Formation of a 1,8-octanedithiol self-assembled monolayer on Au(111) prepared in a lyotropic liquid-crystalline medium. PubMed: Citric-acid-derived photo-cross-linked biodegradable elastomers. PubMed: Electron-phonon interactions in single octanedithiol molecular junctions. PubMed: Rapid approach to biobased telechelics through two one-pot thiol-ene click reactions. PubMed: Breaking mechanism of single molecular junctions formed by octanedithiol molecules and Au electrodes. PubMed: Fabrication of shuttle-junctions for nanomechanical transfer of electrons. PubMed: Molecular electron transport changes upon structural phase transitions in alkanethiol molecular junctions. PubMed: Molecular orientation in octanedithiol and hexadecanethiol monolayers on GaAs and Au measured by infrared spectroscopic ellipsometry. PubMed: Fullerene C60 films cross-linked with octane-1,8-dithiol: preparation, characterization and the use as template for chemical deposition of gold nanoparticles. PubMed: Nanografting versus solution self-assembly of alpha,omega-alkanedithiols on Au(111) investigated by AFM. PubMed: Modulating the conductance of a Au-octanedithiol-Au molecular junction. PubMed: Immobilization of Prussian Blue nanoparticles onto thiol SAM modified Au electrodes for electroanalytical or biosensor applications. PubMed: Structural contributions to charge transport across Ni-octanedithiol multilayer junctions. PubMed: Interpretation of stochastic events in single molecule conductance measurements. PubMed: Deposition of gold nanoparticles onto thiol-functionalized multiwalled carbon nanotubes. PubMed: Formation of alkanethiol and alkanedithiol monolayers on GaAs(001). PubMed: Novel one-dimensional nanogap created with standard optical lithography and evaporation procedures. PubMed: Preparation and characterization of nitrilotriacetic-acid-terminated self-assembled monolayers on gold surfaces for matrix-assisted laser desorption ionization-time of flight-mass spectrometry analysis of proteins and peptides. PubMed: Copolymeric polythioesters by lipase-catalyzed thioesterification and transthioesterification of alpha,omega-alkanedithiols. PubMed: Thio wax ester biosynthesis utilizing the unspecific bifunctional wax ester synthase/acyl coenzyme A:diacylglycerol acyltransferase of Acinetobacter sp. strain ADP1. PubMed: Stability and cleavage conditions of (2-furyl)-L-alanine-containing peptides. PubMed: The use of DODT as a non-malodorous scavenger in Fmoc-based peptide synthesis. PubMed: S-methyl derivatives from thiol compounds by the pyrolytic reaction with trimethylsulfonium hydroxide.