methional diethyl acetal
1,1-diethoxy-3-methylsulfanylpropane
 
Notes:
Flavouring ingredient [CCD]
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1,1-diethoxy-3-methylsulfanylpropane (Click)
CAS Number: 16630-61-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 240-681-3
FDA UNII: X22S1I598Y
Nikkaji Web: J318.269J
XlogP3-AA: 1.80 (est)
Molecular Weight: 178.29486000
Formula: C8 H18 O2 S
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
JECFA Food Flavoring: 1940  methional diethyl acetal
FEMA Number: 4590  methional diethyl acetal
FDA Mainterm: METHIONAL DIETHYL ACETAL
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.95200 to 0.95800 @  20.00 °C.
Pounds per Gallon - (est).: 7.931 to  7.981
Refractive Index: 1.44700 to 1.45300 @  20.00 °C.
Boiling Point: 229.00 to  231.00 °C. @ 760.00 mm Hg
Boiling Point: 118.00 to  119.00 °C. @ 50.00 mm Hg
Vapor Pressure: 0.099000 mm/Hg @ 25.00 °C. (est)
Flash Point: 199.00 °F. TCC ( 92.78 °C. )
logP (o/w): 1.826 (est)
Soluble in:
 alcohol
 water, 1686 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: cabbage
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 pungent  cabbage  
Odor Description:
at 0.10 % in propylene glycol. 
pungent cabbage
 mushroom  onion  green  sweet  tomato  garlic  
Taste Description:
mushroom onion green sweet tomato garlic
  
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Propane,1,1-diethoxy-3-(methylthio)-
BOC Sciences
For experimental / research use only.
1,1-diethoxy-3-methylsulfanylpropane
Parchem
methional diethyl acetal
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 methional diethyl acetal 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: 24
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 0.020000.10000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.020000.08000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: 0.030000.10000
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 85521
National Institute of Allergy and Infectious Diseases: Data
 1,1-diethoxy-3-methylsulfanylpropane
Chemidplus: 0016630618
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References:
 1,1-diethoxy-3-methylsulfanylpropane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 85521
Pubchem (sid): 135043710
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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
HMDB (The Human Metabolome Database): HMDB41608
FooDB: FDB021763
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
FAO: Methional diethyl acetal
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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
 not found in nature
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Synonyms:
1,1-diethoxy-3-(methyl sulfanyl) propane
1,1-diethoxy-3-(methylsulfanyl)propane
1,1-diethoxy-3-(methylthio)propane
1,1-diethoxy-3-methylsulfanylpropane
 propane, 1,1-diethoxy-3-(methylthio)-
 propane,1,1-diethoxy-3-(methylthio)-
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Articles:
 None found yet.
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