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O-ethyl S-1-methoxyhexan-3-yl carbonothioate
O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate

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CAS Number: 1241905-19-0Picture of molecule3D/inchi
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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FEMA Number: 4730 O-ethyl S-1-methoxyhexan-3-yl carbonothioate
 
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
 
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
Flavor Type: sulfurous
 sulfurous currant bud black currant bud tropical coffee roasted coffee coffee
Taste Description:
sulfury blackcurrant tropical roasted coffee
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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
 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
 
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
 
References:
 O-ethyl S-(1-methoxyhexan-3-yl) carbonothioate
NIST Chemistry WebBook: Search Inchi
Pubchem (cas): 1241905-19-0
 
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
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
methionyl acetate
FL
creamy
creamy
acetyl ethyl carbinol
FL
 
Potential Uses:
 coffee 
 
Occurrence (nature, food, other): note
 not found in nature
 
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
 
 
Notes:
None found
 
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