O-ethyl S-1-methoxyhexan-3-yl carbonothioate
O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
 
Notes:
None found
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O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate (Click)
CAS Number: 1241905-19-0Picture of molecule
Molecular Weight: 220.33200000
Formula: C10 H20 O3 S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Perfumer and Flavorist: Search
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EU Patents: Search
FEMA Number: 4730  O-ethyl S-1-methoxyhexan-3-yl carbonothioate
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 280.00 to  281.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.004000 mm/Hg @ 25.00 °C. (est)
Flash Point: 244.00 °F. TCC ( 117.80 °C. ) (est)
logP (o/w): 2.690 (est)
Soluble in:
 alcohol
 water, 131 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: sulfurous
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 sulfurous  mushroom  herbal  chocolate  currant bud black currant bud  
Odor Description:
at 0.10 % in propylene glycol. 
sulfurous mushroom herbal chocolate black currant bud
 sulfurous  currant bud black currant bud  tropical  coffee roasted coffee  coffee  
Taste Description:
sulfury blackcurrant tropical roasted coffee
  
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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Safety Information:
 
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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for O-ethyl S-1-methoxyhexan-3-yl carbonothioate 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 Flavor Ingredient Library
publication number: 26
Click here to view publication 26
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.250000.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 0.400000.80000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.250001.00000
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.500001.00000
imitation dairy: --
instant coffee / tea: 0.250005.00000
jams / jellies: --
meat products: --
milk products: 0.400000.80000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 2.0000025.00000
snack foods: --
soft candy: 0.500001.00000
soups: --
sugar substitutes: --
sweet sauces: 0.250000.50000
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
 O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
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References:
 O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
NIST Chemistry WebBook: Search Inchi
Pubchem (cas): 1241905-19-0
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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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 coffee 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 carbonothioic acid S-[1-(2-methoxyethyl)butyl] O-ethyl ester
 ethyl 1-(2-methoxyethyl)butylsulfanylformate
O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
O-ethyl 1-(2-methoxyethyl)butylsulfanylformate
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