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

1,8-octane dithiol
1,8-octanedithiol

Supplier Sponsors

Name:octane-1,8-dithiol
CAS Number: 1191-62-4Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:214-738-8
FDA UNII:KH3W3161HS
Nikkaji Web:J86.719E
Beilstein Number:1735431
MDL:MFCD00003574
CoE Number:2331
XlogP3-AA:3.30 (est)
Molecular Weight:178.36146000
Formula:C8 H18 S2
NMR Predictor:Predict (works with chrome 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:541 1,8-octanedithiol
FLAVIS Number:12.034 (Old)
DG SANTE Food Flavourings:12.034 octane-1,8-dithiol
FEMA Number:3514 1,8-octanedithiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 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
Boiling Point: 269.00 to 270.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.012000 mm/Hg @ 25.00 °C. (est)
Flash Point: 235.00 °F. TCC ( 112.78 °C. )
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
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous meaty mushroom earthy
Odor Description:at 0.10 % in propylene glycol. sulfurous meaty mushroom earthy
Flavor Type: earthy
earthy mushroom fatty meaty
Taste Description: earthy mushroom fatty meaty
Odor and/or flavor descriptions from others (if found).
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.
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
1,8-Octanedithiol
BOC Sciences
For experimental / research use only.
1,8-Octanedithiol
Charkit Chemical
OCTANEDITHIOL, 1,8- FEMA 3514
Endeavour Specialty Chemicals
1,8-Octanedithiol 98% F&F
Speciality Chemical Product Groups
Penta International
1,8-OCTANEDITHIOL, Kosher
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
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
1,8-Octanedithiol, ≥97%, FG
Odor: meaty; sulfurous
Certified Food Grade Products
Synerzine
1,8-Octanedithiol
Taytonn
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.
 
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-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.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 1,8-octane dithiol usage levels up to:
 not for fragrance use.
 
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
 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: --
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
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:
 octane-1,8-dithiol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:1191-62-4
Pubchem (cid):14493
Pubchem (sid):134980818
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40348
FooDB:FDB020073
Export Tariff Code:2930.90.9190
Haz-Map:View
ChemSpider:View
FAO:1,8-Octanedithiol
 
Potential Blenders and core components note
For Odor
balsamic
(E)-
benzyl tiglate
FL/FR
creamy
butyl lactate
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
fruity
octyl propionate
FL/FR
fungal
1-
decen-3-ol
FL/FR
methyl 2-furoate
FL/FR
green
(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
herbal
3-
octanone
FL/FR
honey
phenethyl furoate
FL/FR
mushroom
3-
octen-2-ol
FL/FR
(R)-1-
octen-3-ol
FL/FR
1-
octen-3-yl butyrate
FL/FR
sulfurous
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
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
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
dairy
butyl lactate
FL/FR
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
(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
 
Potential Uses:
FLmeat
FLmushroom
 
Occurrence (nature, food, other):note
 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
 

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.
 
Notes:
Flavouring material for soups and meat products
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