ethylene mercaptan
1,2-ethanedithiol
 
Notes:
Present in cooked chicken and beef. Flavouring ingredient 1,2-Ethanedithiol is an odorous, colorless liquid with the formula C2H4(SH)2. It has a very characteristic odour which is compared by many people to rotten cabbage. It is a common building block in organic synthesis and an excellent ligand for metal ions.
  • BOC Sciences
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      540-63-6 Ethylene Mercaptan
       
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      Product(s):
      05-06600 1,2-ETHANEDITHIOL
       
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  • Synerzine
    • Synerzine, Inc.
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      W0543 1,2-Ethanedithiol
       
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      E0032 1,2-Ethanedithiol >99.0%(GC)
       
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Synonyms   Articles   Notes   Search
CAS Number: 540-63-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 208-752-3
FDA UNII: 92T634FLAR
Nikkaji Web: J4.507A
Beilstein Number: 0505946
MDL: MFCD00004892
CoE Number: 11467
XlogP3-AA: 0.80 (est)
Molecular Weight: 94.19982000
Formula: C2 H6 S2
BioActivity Summary: listing
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: 532  1,2-ethanedithiol
FLAVIS Number: 12.066 (Old)
DG SANTE Food Flavourings: 12.066  ethane-1,2-dithiol
FEMA Number: 3484  1,2-ethanedithiol
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):540-63-6 ; 1,2-ETHANEDITHIOL
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Physical Properties:
Appearance: colorless to pale green clear liquid (est)
Assay: 99.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.12300 to 1.12400 @  20.00 °C.
Pounds per Gallon - (est).: 9.355 to  9.364
Refractive Index: 1.55800 to 1.55900 @  20.00 °C.
Melting Point: -41.00 °C. @ 760.00 mm Hg
Boiling Point: 144.00 to  146.00 °C. @ 760.00 mm Hg
Boiling Point: 46.00 to  47.00 °C. @ 6.00 mm Hg
Vapor Pressure: 5.610000 mmHg @ 25.00 °C.
Vapor Density: >1 ( Air = 1 )
Flash Point: 122.00 °F. TCC ( 50.00 °C. )
logP (o/w): 1.310 (est)
Soluble in:
 fats
 water, 1.122e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
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allyl mercaptan
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tert-amyl mercaptan
benzyl mercaptan
buchu mercaptan
butyl mercaptan
isobutyl mercaptan
tert-butyl mercaptan
cetyl mercaptan
cyclohexyl mercaptan
cyclopentyl mercaptan
decyl mercaptan
dodecyl mercaptan
2-ethyl hexyl mercaptan
ethyl mercaptan
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heptyl mercaptan
hexyl mercaptan
methyl mercaptan
2-naphthyl mercaptan
nonyl mercaptan
octyl mercaptan
peach mercaptan
1-phenethyl mercaptan
2-phenethyl mercaptan
phenyl mercaptan
prenyl mercaptan
propyl mercaptan
isopropyl mercaptan
2-thienyl mercaptan
3-thienyl mercaptan
tridecyl mercaptan
undecyl mercaptan
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: very high ,
recommend smelling in a 0.01 % solution or less
 
 sulfurous  meaty  
Odor Description:
at 0.01 % in propylene glycol. 
sulfury meaty
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Ethylene Mercaptan
EMD Millipore
For experimental / research use only.
1,2-Ethanedithiol
Penta International
1,2-ETHANEDITHIOL
Robinson Brothers
1,2-Ethanedithiol F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
1,2-Ethanedithiol
Sigma-Aldrich
For experimental / research use only.
1,2-Ethanethiol purum, ≥98.0% (GC)
Synerzine
1,2-Ethanedithiol
TCI AMERICA
For experimental / research use only.
1,2-Ethanedithiol >99.0%(GC)
Tengzhou Jitian Aroma Chemiclal
Ethylene Mercaptan
WholeChem
1,2-Ethanedithiol
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
T - Toxic.
R 10 - Flammable.
R 23/24/25 - Toxic by inhalation, in contact with skin and if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
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.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
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  [sex: M,F] 144 mg/kg
(Phillips Petroleum Company, 1990b)

oral-rat LD50  [sex: M,F] 342 mg/kg
(Moran et al., 1980)

gavage-mouse LD50  [sex: M,F] 342 mg/kg
(Fogleman & DeProspo, 1974)

oral-mouse LD50  120 mg/kg
(Pharmacology Research, Inc., 1963)

oral-rat LD50  [sex: M,F] 218 mg/kg
(Phillips Petroleum Company, 1990b)

intraperitoneal-mouse LD50  50 mg/kg
European Journal of Medicinal Chemistry--Chimie Therapeutique. Vol. 17, Pg. 235, 1982.

intravenous-mouse LD50  56200 ug/kg
U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02101

oral-mouse LD50  342 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for ethylene mercaptan usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (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 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: --
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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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
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
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 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
NLM Hazardous Substances Data Bank: Search
Cancer Citations: Search
Toxicology Citations: Search
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 540-63-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 10902
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 3071
WGK Germany: 3
 ethane-1,2-dithiol
Chemidplus: 0000540636
RTECS: KI3325000 for cas# 540-63-6
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References:
 ethane-1,2-dithiol
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 540-63-6
Pubchem (cid): 10902
Pubchem (sid): 134975737
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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 Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB31707
FooDB: FDB008370
Export Tariff Code: 2930.90.9190
Haz-Map: View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
FAO: 1,2-Ethanedithiol
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 beef boiled beef
Search  PMC Picture
 chicken cooked chicken
Search  PMC Picture
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Synonyms:
1,2-dimercaptoethane
 dithioethylene glycol
 dithioethyleneglycol
 dithioglycol
1,2-dithiol ethane
1,2-dithiolethane
1,2-ethane dithiol
 ethane-1,2-dithiol
 ethanedithiol
1,2-ethanedithiol
1,2-ethanethiol
 ethylene dimercaptan
S-ethylene dimercaptan
 ethylene dithioglycol
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