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1-methyl thio-3-octanone
1-(methylthio)-3-octanone

Supplier Sponsors

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 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:2086 1-(methylthio)-3-octanone
FLAVIS Number:12.247 (Old)
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
 
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
 
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).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
1-methyl thio-3-octanone
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 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
 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: --
 
Safety References:
EPI System: View
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
 
References:
 1-methylsulfanyloctan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):528762
Pubchem (sid):10549379
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
decanal (aldehyde C-10)
FL/FR
2-
tridecenal
FL/FR
citrus
(E)-4-
decenal
FL/FR
creamy
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
fatty
2-
decen-1-ol
FL/FR
2-
nonenal
FL/FR
fruity
decyl butyrate
FL/FR
green
2-iso
butyl thiazole
FL/FR
vegetable
methional
FL/FR
For Flavor
aldehydic
2-
tridecenal
FL/FR
citrus
butter lemon orange flavor
FL
fatty
2-
nonenal
FL/FR
fermented
methyl thio isovalerate
FL
fruity
decyl butyrate
FL/FR
3-
heptyl dihydro-5-methyl-2(3H)-furanone
FL/FR
green
2-iso
butyl thiazole
FL/FR
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
ripe
(E)-4-
decenal
FL/FR
tomato
methional
FL/FR
vegetable
potato butyraldehyde
FL
waxy
decanal (aldehyde C-10)
FL/FR
2-
decen-1-ol
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 tomato
Search Trop Picture
 
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)-
 
 
Notes:
None found
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