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Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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.
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| Pounds per Gallon - (est).: | 8.030 to 8.113
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| Refractive Index: | 1.50100 to 1.50700 @ 20.00 °C.
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| Melting Point: | 0.90 °C. @ 760.00 mm Hg
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| Boiling Point: | 142.00 °C. @ 30.00 mm Hg
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| Boiling Point: | 269.00 to 270.00 °C. @ 760.00 mm Hg
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| Vapor Pressure: | 0.012000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 235.00 °F. TCC ( 112.78 °C. )
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| logP (o/w): | 4.214 (est) |
| Soluble in: |
| | alcohol | | | oils | | | water, 15.79 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| |
| Odor Type: sulfurous |
| |
| | sulfurous meaty mushroom earthy |
Odor Description: at 0.10 % in propylene glycol. | sulfurous meaty mushroom earthy |
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| Flavor Type: earthy |
| |
| | earthy mushroom fatty meaty |
Taste Description:
| earthy mushroom fatty meaty |
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| Odor and/or flavor descriptions from others (if found). |
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| R C Treatt & Co Ltd |
| 1,8-Octanedithiol Kosher |
| Taste Description: | Earthy/mushroom; sweet/fatty/meaty, on dilution FEMA specifies that total dithiols added to a foodstuff should not exceed 1.0 ppm. Kosher.Artificial: not reported found in nature. Used in poultry, meat, soup and savoury flavours. Normal use levels in finished consumer product: 0.002-0.2 ppm. |
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Cosmetic Information:
Suppliers:
| Beijing Lys Chemicals |
| 1,8-Octanedithiol
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| BOC Sciences |
| For experimental / research use only. |
| 1,8-Octanedithiol
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| Charkit Chemical |
| OCTANEDITHIOL, 1,8- FEMA 3514
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| Endeavour Specialty Chemicals |
| 1,8-Octanedithiol 98% F&F
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| Speciality Chemical Product Groups |
| Penta International |
| 1,8-OCTANEDITHIOL
|
| R C Treatt & Co Ltd |
| 1,8-Octanedithiol
Kosher Flavor: Earthy/mushroom; sweet/fatty/meaty, on dilution FEMA specifies that total dithiols added to a foodstuff should not exceed 1.0 ppm. Kosher.Artificial: not reported found in nature. Used in poultry, meat, soup and savoury flavours. Normal use levels in finished consumer product: 0.002-0.2 ppm. |
| Robinson Brothers |
| 1,8-Octanedithiol F&F
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| https://www.robinsonbrothers.uk/chemistry-competences |
| Sigma-Aldrich |
| 1,8-Octanedithiol, ≥97%, FG
Odor: meaty; sulfurous |
| Certified Food Grade Products |
| Taytonn ASCC |
| 1,8-Octanedithiol
Odor: Earthy, Fatty, Meaty, Sulphurous |
| TCI AMERICA |
| For experimental / research use only. |
| 1,8-Octanedithiol >97.0%(GC)(T)
|
| WholeChem |
| 1,8-Octanedithiol
|
Safety Information:
| Preferred SDS: View |
| European information : |
| Most important hazard(s): | | Xn - Harmful. |
R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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| 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 |
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| Pictogram | |
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| Hazard statement(s) |
| None found. |
| Precautionary statement(s) |
| None found. |
| Oral/Parenteral Toxicity: |
oral-mouse LD50 [sex: M,F (5/sex/group)] 882 (940 M, 1300 F) mg/kg (Bailey, 1976b)
oral-mouse LD50 [sex: M,F] 1262 mg/kg (Moran et al., 1980)
oral-mouse LD50 882 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
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| Dermal Toxicity: |
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Not determined
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| Inhalation Toxicity: |
|
Not determined
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Safety in Use Information:
| Category: | flavoring agents |
| Recommendation for 1,8-octane dithiol usage levels up to: | | | not for fragrance use.
|
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| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.10 (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: 10 |
| Click here to view publication 10 |
| | 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: | - | - |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | - | - |
| snack foods: | - | - |
| 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 14493 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| | octane-1,8-dithiol |
| Chemidplus: | 0001191624 |
| RTECS: | RG9610000 for cas# 1191-62-4 |
References:
Other Information:
Potential Blenders and core components note
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| For Odor |
| balsamic |
| balsamic |
| (E)- | benzyl tiglate | FL/FR |
| earthy |
| | benzyl tiglate | FL/FR |
| | dibenzyl ether | FL/FR |
| 1- | nonen-3-ol | FL/FR |
| 3- | octanol | FL/FR |
| 1- | octen-3-ol | FL/FR |
| 1- | octen-3-one | FL/FR |
| fatty |
| (E)-2- | decenal | FL/FR |
| fermented |
| | butyl laevo-lactate | FL/FR |
| floral |
| 6,8- | dimethyl-2-nonanol | FR |
| | nonyl octanoate | FL/FR |
| | octyl acetate | FL/FR |
| | phenethyl butyl ether | FR |
| 2- | phenyl propionaldehyde dimethyl acetal | FL/FR |
| 2- | phenyl propionaldehyde ethylene glycol acetal | FR |
| | octyl propionate | FL/FR |
| fungal |
| 1- | decen-3-ol | FL/FR |
| | methyl 2-furoate | FL/FR |
| green |
| | butyl lactate | FL/FR |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| (Z)- | leaf acetal | FL/FR |
| | melon acetal | FL/FR |
| (E,Z)-2,6- | nonadienal | FL/FR |
| | phenyl acetaldehyde dimethyl acetal | FL/FR |
| 3- | octanone | FL/FR |
| honey |
| | phenethyl furoate | FL/FR |
| 3- | octen-2-ol | FL/FR |
| (R)-1- | octen-3-ol | FL/FR |
| 1- | octen-3-yl butyrate | FL/FR |
| | ethyl 2-mercaptopropionate | FL/FR |
| | fish thiol | FL/FR |
| 2- | mercaptopropionic acid | FL/FR |
| 4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
| waxy |
| | methyl laurate | FL/FR |
| (Z)-3- | nonen-1-ol | FL/FR |
| woody |
| | sclareolide | FL/FR |
| yeasty |
| 2- | octen-4-one | FL/FR |
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| For Flavor |
| |
| No flavor group found for these |
| | benzyl tiglate | FL/FR |
| | furfural diethyl acetal | FL |
| 4- | methyl 4-mercaptopentan-2-one 1% solution | FL/FR |
| tris( | methyl thio) methane | FL |
| 2- | methyl-1-butane thiol | FL |
| 1,9- | nonane dithiol | FL |
| | nonyl octanoate | FL/FR |
| 1,5- | octadien-3-ol | FL |
| (E)-2- | penten-1-ol | FL |
| 2- | pentyl-1-buten-3-one | FL |
| | phenethyl furoate | FL/FR |
| iso | propyl disulfide | FL |
| alliaceous |
| 1,3- | butane dithiol | FL |
| balsamic |
| (E)- | benzyl tiglate | FL/FR |
| burnt |
| 1,6- | hexane dithiol | FL |
| buttery |
| | butyl laevo-lactate | FL/FR |
| caramellic |
| | methyl 2-furoate | FL/FR |
| coffee |
| | difurfuryl ether | FL |
| creamy |
| | acetyl ethyl carbinol | FL |
| earthy |
| 1- | decen-3-ol | FL/FR |
| | difurfuryl sulfide | FL |
| 1- | hexen-3-yl acetate | FL |
| 1- | nonen-3-ol | FL/FR |
| 1- | octen-3-one | FL/FR |
| 2- | thienyl disulfide | FL |
| eggy |
| iso | propyl mercaptan | FL |
| estery |
| | octyl propionate | FL/FR |
| fatty |
| | dimethyl sulfoxide | FL |
| fermented |
| | methyl thio isovalerate | FL |
| fruity |
| | dibenzyl ether | FL/FR |
| 2- | phenyl propionaldehyde dimethyl acetal | FL/FR |
| green |
| | butyl lactate | FL/FR |
| (Z)-3- | hexen-1-yl tiglate | FL/FR |
| (Z)- | leaf acetal | FL/FR |
| | melon acetal | FL/FR |
| (E,Z)-2,6- | nonadienal | FL/FR |
| | phenyl acetaldehyde dimethyl acetal | FL/FR |
| meaty |
| 2,6- | dimethyl thiophenol | FL |
| 2,5- | dimethyl-3-furan thiol | FL |
| | furfuryl 2-methyl-3-furyl disulfide | FL |
| | lamb flavor | FL |
| 2- | mercaptopropionic acid | FL/FR |
| 2- | methyl 3-(methyl thio) furan | FL |
| | pyrazinyl ethane thiol | FL |
| ortho- | thiocresol | FL |
| metallic |
| 2,5- | dihydroxy-1,4-dithiane | FL |
| mushroom |
| 3- | octanone | FL/FR |
| 3- | octen-2-ol | FL/FR |
| 1- | octen-3-ol | FL/FR |
| (R)-1- | octen-3-ol | FL/FR |
| 1- | octen-3-yl butyrate | FL/FR |
| musty |
| 3- | octanol | FL/FR |
| onion |
| | ethyl 2-mercaptopropionate | FL/FR |
| sulfurous |
| 2,3- | butane dithiol | FL |
| | fish thiol | FL/FR |
| | methyl 2-methyl-3-furyl disulfide | FL |
| 1-( | methyl thio)-2-butanone | FL |
| 2- | naphthyl mercaptan | FL |
| vegetable |
| 2- | octen-4-one | FL/FR |
| waxy |
| (E)-2- | decenal | FL/FR |
| | methyl laurate | FL/FR |
| (Z)-3- | nonen-1-ol | FL/FR |
| | octyl 2-furoate | FL |
| | octyl acetate | FL/FR |
| woody |
| | sclareolide | FL/FR |
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Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| 1,8- | dimercaptooctane | | 1,8- | dioctyl mercaptan | | | octamethylene dimercaptan | | 1,8- | octamethylene dithiol | | 1,8- | octamethylenedithiol | | | octane-1,8-dithiol | | 1,8- | octanedithiol |
Articles:
| 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 Ligandâ„¢ 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. |
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