EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

methional diethyl acetal
1,1-diethoxy-3-methylsulfanylpropane

Sponsors

CAS Number: 16630-61-8Picture of molecule3D/inchi
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
 
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
Flavor Type: mushroom
">mushroom onion green sweet tomato garlic
Taste Description: mushroom onion green sweet tomato garlic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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
 
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 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
 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: --
 
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
 
References:
 1,1-diethoxy-3-methylsulfanylpropane
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):85521
Pubchem (sid):135043710
 
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
FAO:Methional diethyl acetal
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
3-
hydroxypyruvic acid
FL
mercaptoacetaldehyde
FL
methionyl acetate
FL
S-
methyl benzothioate
FL
4-(
methyl thio) butanol
FL
S-(
methyl thio) hexanoate
FL
2-(
methyl thio) methyl-2-butenal
FL
2-
methyl-5-methoxythiazole
FL
iso
propyl disulfide
FL
alliaceous
alliaceous
truffle sulfide
FL
fruity
ethyl 3-oxohexanoate
FL
green
(E)-2-
heptenal
FL
meaty
pyrazinyl ethane thiol
FL
onion
methyl propyl disulfide
FL
sulfurous
ethyl methyl sulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl thioacetate
FL
sweet
acetone alcohol
FL
vegetable
potato butyraldehyde
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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)-
 

Articles:

 None found yet.
 
Notes:
Flavouring ingredient [CCD]
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