methional diethyl acetal
1,1-diethoxy-3-methylsulfanylpropane
 
Notes:
Flavouring ingredient [CCD]
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      Product(s):
      16630-61-8 1,1-diethoxy-3-methylsulfanylpropane
       
  • CSA
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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, Edge 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1940  methional diethyl acetal
FEMA Number: 4590 methional diethyl acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):16630-61-8 ; 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 mmHg @ 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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cinnamaldehyde diethyl acetal
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furfural diethyl acetal
heliotropyl diethyl acetal
heptanal diethyl acetal
(Z)-4-hepten-1-al diethyl acetal
hexanal diethyl acetal
(Z)-3-hexen-1-al diethyl acetal
(E)-2-hexen-1-al diethyl acetal
alpha-hexyl cinnamaldehyde diethyl acetal
hydroxycitronellal diethyl acetal
2-methyl butyraldehyde diethyl acetal
(E,Z)-2,6-nonadien-1-al diethyl acetal
nonanal diethyl acetal
isononanal diethyl acetal
octanal diethyl acetal
isooctanal diethyl acetal
phenyl acetaldehyde diethyl acetal
propionaldehyde diethyl acetal
tridecanal diethyl acetal
undecanal diethyl acetal
valeraldehyde diethyl acetal
isovaleraldehyde diethyl acetal
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Organoleptic Properties:
 
Odor Type: cabbage
 
 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).
 
 
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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 CSA
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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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
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 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB41608
FooDB: FDB021763
ChemSpider: View
FAO: Methional diethyl acetal
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Potential Blenders and core components note
 
For Odor
alliaceous
 propyl mercaptanFL/FR
animal
 methyl (E)-2-octenoateFL/FR
coffee
 coffee difuranFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
earthy
1-octen-3-oneFL/FR
fatty
(E)-2-octenalFL/FR
floral
(Z)-3-hexen-1-yl salicylateFL/FR
 rose butanoateFL/FR
fruity
isobutyl 2-butenoateFL/FR
isobutyl isovalerateFL/FR
 ethyl 3-hexenoateFL/FR
(E,E)-ethyl sorbateFL/FR
 neryl isobutyrateFL/FR
 prenyl acetateFL/FR
 hexyl isobutyrateFL/FR
 phenethyl tiglateFL/FR
herbal
 clary sage absoluteFL/FR
honey
 methyl phenyl acetateFL/FR
musty
ketoisophoroneFL/FR
spicy
 methyl heptadienoneFL/FR
sulfurous
 dimethyl disulfideFL/FR
 methyl mercaptanFL/FR
S-tropical 2-thiobutyrateFL/FR
 
For Flavor
 
No flavor group found for these
3-hydroxypyruvic acidFL
 mercaptoacetaldehydeFL
 methionyl acetateFL
S-methyl benzothioateFL
4-(methyl thio) butanolFL
S-(methyl thio) hexanoateFL
2-(methyl thio) methyl-2-butenalFL
2-methyl-5-methoxythiazoleFL
isopropyl disulfideFL
S-tropical 2-thiobutyrateFL/FR
alliaceous
 propyl mercaptanFL/FR
 truffle sulfideFL
citrus
ketoisophoroneFL/FR
coffee
 coffee difuranFL/FR
earthy
1-octen-3-oneFL/FR
fatty
(E)-2-octenalFL/FR
floral
 methyl phenyl acetateFL/FR
fruity
 ethyl 3-hexenoateFL/FR
 ethyl 3-oxohexanoateFL
(E,E)-ethyl sorbateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
 methyl (E)-2-octenoateFL/FR
 neryl isobutyrateFL/FR
 prenyl acetateFL/FR
 rose butanoateFL/FR
green
isobutyl 2-butenoateFL/FR
isobutyl isovalerateFL/FR
(E)-2-heptenalFL
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl isobutyrateFL/FR
 methyl heptadienoneFL/FR
 phenethyl tiglateFL/FR
herbal
 clary sage absoluteFL/FR
meaty
 pyrazinyl ethane thiolFL
onion
 methyl propyl disulfideFL
sulfurous
 dimethyl disulfideFL/FR
 ethyl methyl sulfideFL
 methyl 4-(methyl thio) butyrateFL
 methyl benzyl disulfideFL
 methyl mercaptanFL/FR
 methyl thioacetateFL
sweet
 acetone alcoholFL
vegetable
 potato butyraldehydeFL
 
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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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