1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
 
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ethane-1,1-dithiol (Click)
CAS Number: 69382-62-3
% from:1.00%
FDA UNII:6E52Q3WL23
FEMA Number:4111
XlogP3-AA:1.30 (est)
Molecular Weight:94.19982000
Formula:C2 H6 S2
NMR Predictor:Predict
Also(can) Contains:ethanol 94.50%
 ethyl acetate 4.00%
EFSA/JECFA Comments:(Flavour Industry, 2005h). The substance is produced as a 1 % solution. Solvent is 94.5 % ethanol and 4 % ethylacetate. All specification parameters refer to this solution. (Industry).
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring:1660  ethane-1,1-dithiol
Flavis Number:12.293 (Old)
EU SANCO Food Flavourings:12.293  ethane-1,1-dithiol

FEMA Number:4111  ethane-1,1-dithiol
FDA Mainterm: ETHANE-1,1-DITHIOL
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Physical Properties:
Appearance:colorless clear liquid (est)
Food Chemicals Codex Listed:No
Specific Gravity:0.83000 to 0.83400 @  25.00 °C.
Pounds per Gallon - (est).: 6.906 to  6.940
Refractive Index:1.36000 to 1.36600 @  20.00 °C.
Boiling Point: 120.00 °C. @ 760.00 mm Hg
Vapor Pressure:18.393999 mm/Hg @ 25.00 °C. (est)
Flash Point: 86.00 °F. TCC ( 30.00 °C. )
logP (o/w): 1.740 (est)
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Organoleptic Properties:
Odor Type:meaty
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Odor Description:
at 0.10 % in propylene glycol. 
meaty roasted
Taste Description:
meaty
  
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Cosmetic Information:
None found
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Suppliers:
Parchem
1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
Oral/Parenteral Toxicity:
  Not determined
Dermal Toxicity:
  Not determined
Inhalation Toxicity:
  Not determined
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Safety in Use Information:
Category:flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU):0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):230 (μg/person/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class:I
Recommendation for 1,1-ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4% usage levels up to:
 not for fragrance use.
 
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 on the "Resources" link.
publication number: 22
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.200002.00000
beverages(alcoholic): 0.200002.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 0.200002.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.200005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.000005.00000
milk products: --
nut products: --
other grains: --
poultry: 1.000005.00000
processed fruits: 0.200002.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.000005.00000
snack foods: 1.000005.00000
soft candy: --
soups: 0.600005.00000
sugar substitutes: --
sweet sauces: --
 
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): --
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200002.00000
Edible ices, including sherbet and sorbet (03.0): --
Processed fruit (04.1): 0.200002.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): --
Bakery wares (07.0): --
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.600005.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200002.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): --
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
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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 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)
page or 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)
page or 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)
page or pdf
EPI System:View
Chemicalize.org:Calculate predicted properties
EPA ACToR:Toxicology Data
National Institute of Allergy and Infectious Diseases:Data
 ethane-1,1-dithiol
Chemidplus:0069382623
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References:
 ethane-1,1-dithiol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):33645
Pubchem (sid):134998142
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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 Everything Added to Food in the United States (EAFUS):View
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
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Potential Blenders and core components note
2,6-dimethyl thiophenolFL
3,7-dimethyl-2,6-octadien-1-yl cyclopropyl carboxamideFL
2,5-dimethyl-3-thiofuroyl furanFL
2-mercapto-3-pentanone 
2-methyl-1-methyl thio-2-buteneFL
2-methyl-3-(methyl thio) pyrazineFL/FR
bis(2-methyl-3-furyl) disulfideFL
S-(2-methyl-3-furyl) ethane thioateFL
3-((2-methyl-3-furyl)thio)-4-heptanoneFL
 nutty thiazoleFL
 propyl 2-mercaptopropionateFL
2-pyridinyl methane thiolFL
 roasted butanolFL
 thialdineFL
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Potential Uses:
 meat 
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Natural Occurrence in: note
 yeast extract
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Synonyms:
 ethan-1,1-dithiol
 ethane-1,1-dithiol
 ethane-1,1-dithiol 1% in ethanol 94.5% / ethyl acetate 4%
1,1-ethanedithiol
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click on the picture(s) below to
interact with the 3D model
Picture of molecule
Soluble in:
 alcohol
 water
 water, 1.297e+004 mg/L @ 25 °C (est)
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