The Good Scents Company - Aromatic/Hydrocarbon/Inorganic Ingredients Catalog information

CAS Number:	61837-77-2	3D/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:

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:	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

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
Click here to view publication 25
	average usual ppm	average maximum ppm
baked goods:	0.10000	5.00000
beverages(nonalcoholic):	-	-
beverages(alcoholic):	-	-
breakfast cereal:	-	-
cheese:	0.10000	5.00000
chewing gum:	-	-
condiments / relishes:	0.10000	5.00000
confectionery froastings:	-	-
egg products:	0.10000	5.00000
fats / oils:	0.10000	5.00000
fish products:	-	-
frozen dairy:	-	-
fruit ices:	-	-
gelatins / puddings:	-	-
granulated sugar:	-	-
gravies:	0.10000	5.00000
hard candy:	-	-
imitation dairy:	-	-
instant coffee / tea:	-	-
jams / jellies:	-	-
meat products:	0.10000	5.00000
milk products:	-	-
nut products:	-	-
other grains:	-	-
poultry:	0.10000	5.00000
processed fruits:	-	-
processed vegetables:	0.10000	5.00000
reconstituted vegetables:	0.10000	5.00000
seasonings / flavors:	0.10000	5.00000
snack foods:	0.10000	5.00000
soft candy:	-	-
soups:	0.10000	5.00000
sugar substitutes:	-	-
sweet sauces:	-	-

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

References:

	1-methylsulfanyloctan-3-one
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	528762
Pubchem (sid):	10549379

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

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)-4- decenal FL/FR

2,4- octadienal FL

(E,E)-2,4- octadienal FL

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)-

Articles:

Leffingwell & Associates:Flavor Properties of FEMA GRAS List 25 flavor chemicals