1-methyl thio-3-octanone
1-(methylthio)-3-octanone
 
Notes:
None found
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CAS Number: 61837-77-2Picture of molecule3D/inchi
FDA UNII: 1Q30MEB85I
Nikkaji Web: J740.289I
XlogP3-AA: 2.40 (est)
Molecular Weight: 174.30666000
Formula: C9 H18 O 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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JECFA Food Flavoring: 2086  1-(methylthio)-3-octanone
FEMA Number: 4707 1-(methylthio)-3-octanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):61837-77-2 ; 1-(METHYLTHIO)-3-OCTANONE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 254.00 to  255.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.017000 mmHg @ 25.00 °C. (est)
Flash Point: 224.00 °F. TCC ( 106.67 °C. )
logP (o/w): 2.684 (est)
Soluble in:
 alcohol
 water, 628.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Description:
meaty dairy
 
 
Flavor Type: fatty
 
 fatty  citrus  tomato  vegetable  peely  cheesy bleu cheese  cheesy  
Taste Description:
at 5.00 ppm in water.  
fatty citrus tomato vine vegetable peely blue cheese
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
1-methyl thio-3-octanone
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 1-methyl thio-3-octanone 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: 25
Click here to view publication 25
 average usual ppmaverage maximum ppm
baked goods: 0.100005.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: 0.100005.00000
chewing gum: --
condiments / relishes: 0.100005.00000
confectionery froastings: --
egg products: 0.100005.00000
fats / oils: 0.100005.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: 0.100005.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 0.100005.00000
milk products: --
nut products: --
other grains: --
poultry: 0.100005.00000
processed fruits: --
processed vegetables: 0.100005.00000
reconstituted vegetables: 0.100005.00000
seasonings / flavors: 0.100005.00000
snack foods: 0.100005.00000
soft candy: --
soups: 0.100005.00000
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 : 528762
National Institute of Allergy and Infectious Diseases: Data
 1-methylsulfanyloctan-3-one
Chemidplus: 0061837772
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References:
 1-methylsulfanyloctan-3-one
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 528762
Pubchem (sid): 10549379
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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): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
 decanal (aldehyde C-10)FL/FR
2-tridecenalFL/FR
citrus
(E)-4-decenalFL/FR
creamy
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
fatty
2-decen-1-olFL/FR
2-nonenalFL/FR
fruity
 decyl butyrateFL/FR
green
2-isobutyl thiazoleFL/FR
vegetable
 methionalFL/FR
 
For Flavor
 
aldehydic
2-tridecenalFL/FR
citrus
 butter lemon orange flavorFL
fatty
2-nonenalFL/FR
fermented
 methyl thio isovalerateFL
fruity
 decyl butyrateFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
green
2-isobutyl thiazoleFL/FR
2,4-octadienalFL
(E,E)-2,4-octadienalFL
ripe
(E)-4-decenalFL/FR
tomato
 methionalFL/FR
vegetable
 potato butyraldehydeFL
waxy
 decanal (aldehyde C-10)FL/FR
2-decen-1-olFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 tomato
Search Trop  Picture
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Synonyms:
1-methyl sulfanyl octan-3-one
1-(methyl thio) octan-3-one
1-(methyl thio)-3-octanone
1-(methylsulfanyl)octan-3-one
1-methylsulfanyloctan-3-one
1-methylthio-3-octanone
1-(methylthio)-3-octanone
1-(methylthio)octan-3-one
3-octanone, 1-(methylthio)-
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