1-methyl thio-3-octanone

General Material Information

Trivial Name	1-methyl thio-3-octanone
Short Description	1-(methylthio)-3-octanone
Formula	C9 H18 O S
CAS Number	61837-77-2
FEMA Number	4707
FDA UNII	1Q30MEB85I
Nikkaji Number	J740.289I
xLogP3-AA	2.40 (est)
NMR Predictor	External link
JECFA Food Flavoring	2086 1-(methylthio)-3-octanone
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	61837-77-2 ; 1-(METHYLTHIO)-3-OCTANONE
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)-

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

(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

Material listed in food chemical codex	No
Molecular weight	174.30665588379
Boiling Point	254 to 255°C @ 760 mm Hg
Vapor Pressure	0.017 mmHg @ 25 °C
Flash Point TCC Value	106.67 °C TCC
logP (o/w)	2.684 est
Solubility
alcohol	Yes
water, 628.2 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Sulfurous
General comment	Meaty dairy
Flavor Type: Fatty
fatty, citrus, tomato, vegetable, peely, cheesy bleu cheese, cheesy
General comment	At 5.00 ppm in water. fatty citrus tomato vine vegetable peely blue cheese


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

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:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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