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

Supplier Sponsors

CAS Number: 1241905-19-0Picture of molecule3D/inchi
FDA UNII: Search
Molecular Weight:220.33200000
Formula:C10 H20 O3 S
NMR Predictor:Predict (works with chrome, Edge 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
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
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 mmHg @ 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
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
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
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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 2011 (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
anisic
methyl para-anisate
FL/FR
earthy
3-
octanol
FL/FR
1-
octen-3-one
FL/FR
floral
octyl acetate
FL/FR
phenethyl formate
FL/FR
fruity
tropical thiazole
FL/FR
herbal
barosma betulina leaf oil
FL/FR
sulfurous
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
For Flavor
No flavor group found for these
methionyl acetate
FL
methyl para-anisate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
creamy
acetyl ethyl carbinol
FL
earthy
1-
octen-3-one
FL/FR
green
phenethyl formate
FL/FR
herbal
barosma betulina leaf oil
FL/FR
musty
3-
octanol
FL/FR
roasted
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
waxy
octyl acetate
FL/FR
 
Potential Uses:
FRcoffee
 
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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