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

diethyl disulfide
ethyldisulfanylethane

Sponsors

Name:ethyldisulfanylethane
CAS Number: 110-81-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-805-7
FDA UNII:X2SFL51MH0
Nikkaji Web:J5.101B
MDL:MFCD00009266
CoE Number:533
XlogP3-AA:1.60 (est)
Molecular Weight:122.25370000
Formula:C4 H10 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
JECFA Food Flavoring:1699 diethyl disulfide
FLAVIS Number:12.012 (Old)
DG SANTE Food Flavourings:12.012 diethyl disulfide
FEMA Number:4093 diethyl disulfide
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: DIETHYL DISULFIDE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.99000 to 0.99600 @ 25.00 °C.
Pounds per Gallon - (est).: 8.238 to 8.288
Refractive Index:1.50200 to 1.50800 @ 20.00 °C.
Melting Point:-102.00 °C. @ 760.00 mm Hg
Boiling Point: 152.00 °C. @ 760.00 mm Hg
Vapor Pressure:4.280000 mm/Hg @ 25.00 °C.
Flash Point: 104.00 °F. TCC ( 40.00 °C. )
logP (o/w): 3.169 (est)
Soluble in:
 alcohol
 propylene glycol
 water, 358.7 mg/L @ 25 °C (est)
 water, 300 mg/L @ 25 °C (exp)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: alliaceous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Substantivity: < 1 hour(s) at 1.00 % in triacetin
gassy ripe onion greasy garlic
Odor Description:at 0.10 % in triacetin. gassy ripe onion greasy garlic
Luebke, William tgsc, (2006)
Odor sample from: Sigma-Aldrich
Flavor Type: alliaceous
gassy onion garlic
Taste Description: at 1.00 ppm in water. gassy onion
Luebke, William tgsc, (2006)
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Diethyl disulfide
BOC Sciences
For experimental / research use only.
Diethyl Disulfide
DeLong Chemicals America
Diethyl disulfide, Kosher
EMD Millipore
For experimental / research use only.
Diethyl Disulfide
Jiangyin Healthway
Diethyl disulphide
New functional food ingredients
Jinan Enlighten Chemical Technology(Wutong Aroma )
Diethyl disulfide, Kosherk
M&U International
DIETHYL DISULFIDE, Kosher
Penta International
DIETHYL DISULFIDE, Kosher
Santa Cruz Biotechnology
For experimental / research use only.
Diethyl disulfide
Sigma-Aldrich
Diethyl disulfide, 99%, FG
Certified Food Grade Products
Sunaux International
Diethyl Disulfide
TCI AMERICA
For experimental / research use only.
Diethyl Disulfide >99.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Diethyl Disulfide
Treatt
Diethyl Disulphide
Kosher
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
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 2030 mg/kg
National Technical Information Service. Vol. OTS0540990

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for diethyl disulfide usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 78 (μg/person/day)
NOEL (No Observed Effect Level): 7.3 (mg/kg bw per day)
Threshold of Concern:1800 (μg/person/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: 22
 average usual ppmaverage maximum ppm
baked goods: 0.200001.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 0.100000.50000
cheese: 0.200001.00000
chewing gum: --
condiments / relishes: 0.100000.50000
confectionery froastings: 0.200001.00000
egg products: --
fats / oils: 0.100000.50000
fish products: 0.100000.20000
frozen dairy: 0.200001.00000
fruit ices: 0.200001.00000
gelatins / puddings: --
granulated sugar: --
gravies: 0.400002.00000
hard candy: --
imitation dairy: 0.200001.00000
instant coffee / tea: --
jams / jellies: --
meat products: 0.100000.20000
milk products: 0.200001.00000
nut products: --
other grains: 0.100000.50000
poultry: 0.100000.20000
processed fruits: 0.200001.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: 0.100000.50000
soft candy: --
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: 0.100000.50000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.100000.50000
Edible ices, including sherbet and sorbet (03.0): 0.200001.00000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.200001.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.200001.00000
Meat and meat products, including poultry and game (08.0): 0.100000.20000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.20000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.100000.50000
Foodstuffs intended for particular nutritional uses (13.0): 0.200001.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.100000.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.200001.00000
Ready-to-eat savouries (15.0): 0.400002.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
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 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 1 (FGE.91Rev1): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 2 (FGE.91Rev2): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by the JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev5 (2012)
View page or View pdf

EPI System: View
NLM Developmental and Reproductive Toxicity:Search
EPA Substance Registry Services (TSCA):110-81-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8077
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:2
ethyldisulfanylethane
Chemidplus:0000110816
RTECS:JO1925000 for cas# 110-81-6
 
References:
 ethyldisulfanylethane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:110-81-6
Pubchem (cid):8077
Pubchem (sid):134974534
 
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
HMDB (The Human Metabolome Database):HMDB29572
FooDB:FDB000727
YMDB (Yeast Metabolome Database):YMDB01671
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
alliaceous
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
ferula assa-foetida gum oil
FL/FR
garlic oil china
FL/FR
propyl mercaptan
FL/FR
cheesy
S-(
methyl thio) butyrate
FL/FR
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
meaty
meaty dithiane
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
methyl mercaptan
FL/FR
3-(
methyl thio) hexanol
FL/FR
onion oil
FL/FR
For Flavor
No flavor group found for these
allyl methyl disulfide
FL
allyl methyl trisulfide
FL
allyl propyl disulfide
FL
allyl propyl sulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
diethyl trisulfide
FL
diisopropyl sulfide
FL
diisopropyl trisulfide
FL
dimethyl tetrasulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
ethyl isothiocyanate
FL
ethyl methyl trisulfide
FL
ethyl propyl disulfide
FL
ethyl propyl trisulfide
FL
heptyl mercaptan
FL
3-
mercapto-2-methyl pentanol
FL
4-(
methyl thio) butanol
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-1-butanol
FL/FR
propenyl propyl disulfide
FL
iso
propyl disulfide
FL
propyl mercaptan
FL/FR
thiophene
FL
2,3,5-
trithiahexane
FL
2,3,5-
trithiahexane
FL
alliaceous
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
dimethyl trisulfide
FL/FR
dipropyl disulfide
FL/FR
dipropyl trisulfide
FL
ferula assa-foetida gum oil
FL/FR
garlic oil china
FL/FR
3-
mercapto-2-pentanone
FL
methyl 3-mercaptobutanoate
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
truffle sulfide
FL
cabbage
methyl 2-thiofuroate
FL
citrus
grapefruit mercaptan
FL/FR
coffee
coffee difuran
FL/FR
corn chip
2-
acetyl-2-thiazoline
FL
eggy
iso
propyl mercaptan
FL
fatty
dimethyl sulfoxide
FL
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
meaty
meaty dithiane
FL/FR
(R,S)-2-
mercapto-3-butanol
FL
bis(2-
methyl-3-furyl) disulfide
FL
phenyl mercaptan
FL
ortho-
thiocresol
FL
metallic
3-(
methyl thio) hexanol
FL/FR
musty
2-
methyl 5-(methyl thio) furan
FL/FR
S-(
methyl thio) butyrate
FL/FR
onion
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
hexyl mercaptan
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl mercaptan
FL/FR
1-(
methyl thio)-2-butanone
FL
methyl thiomethyl butyrate
FL
onion oil
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FLmeat
FLonion
 
Occurrence (nature, food, other):note
 beef grilled beef
Search PMC Picture
 durian fruit
Search Trop Picture
 pork grilled pork
Search PMC Picture
 
Synonyms:
 diethyl disulphide
 diethyldisulfide
1,1'-disulfanediyldiethane
 disulfide, diethyl
3,4-dithiahexane
1,1'-dithiodiethane
 ethyl disulfanyl ethane
 ethyl disulfide
 ethyl dithioethane
(ethyldisulfanyl)ethane
 ethyldisulfanylethane
 ethyldithioethane
 

Articles:

PubMed:How the disulfide conformation determines the disulfide/thiol redox potential.
PubMed:Stability of volatile sulfur compounds (VSCs) in sampling bags - impact of temperature.
PubMed:Sulfides: chemical ionization induced fragmentation studied with proton transfer reaction-mass spectrometry and density functional calculations.
PubMed:Copper coated silica nanoparticles for odor removal.
PubMed:Variation of some fermentative sulfur compounds in Italian "millesime" classic sparkling wines during aging and storage on lees.
PubMed:Thermodynamic role of glutathione oxidation by peroxide and peroxybicarbonate in the prevention of Alzheimer's disease and cancer.
PubMed:Characterization of the kringle fold and identification of a ubiquitous new class of disulfide rotamers.
PubMed:Alternative reagents for chemical noise reduction in liquid chromatography-mass spectrometry using selective ion-molecule reactions.
PubMed:Aging effects and grape variety dependence on the content of sulfur volatiles in wine.
PubMed:Evaluating the stability of disulfide bridges in proteins: a torsional potential energy surface for diethyl disulfide.
PubMed:Nucleophilic reactions of phorate and terbufos with reduced sulfur species under anoxic conditions.
PubMed:Raman, FT-IR, NMR spectroscopic data and antimicrobial activity of bis[micro2-(benzimidazol-2-yl)-2-ethanethiolato-N,S,S-chloro-palladium(II)] dimer, [(micro2-CH2CH2NHNCC6H4)PdCl]2.C2H5OH complex.
PubMed:Comparison of three lychee cultivar odor profiles using gas chromatography-olfactometry and gas chromatography-sulfur detection.
PubMed:Ultrasonic cleavage of thioethers.
PubMed:Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene.
PubMed:Aquasonolysis of thioethers.
PubMed:Sensitive quantification of sulfur compounds in wine by headspace solid-phase microextraction technique.
PubMed:Photocatalytic oxidation of gaseous 2-chloroethyl ethyl sulfide over TiO2.
PubMed:Catalytic oxidation of gaseous reduced sulfur compounds using coal fly ash.
PubMed:Synthesis and stable isotope dilution assay of ethanethiol and diethyl disulfide in wine using solid phase microextraction. Effect of aging on their levels in wine.
PubMed:Artifact formation due to ethyl thio-incorporation into silylated steroid structures as determined in doping analysis.
PubMed:Electroanalytical applications of cationic self-assembled monolayers: square-wave voltammetric determination of dopamine and ascorbate.
PubMed:[The experimental establishment of the maximum permissible concentration of 2,2'-bis(diethylamino)diethyl disulfide in bodies of water].
 
Notes:
Present in durian fruit
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