1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene

General Material Information

Trivial Name	1-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene
Short Description	1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene
Formula	C14 H24 O S
CAS Number	68697-67-6
FEMA Number	4569
FDA UNII	2TCW7MIT5C
NMR Predictor	External link
JECFA Food Flavoring	1942 1-(3-(methylthio)-butyryl)-2,6,6-trimethylcyclohexene
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	68697-67-6 ; 1-(3-(METHYLTHIO)-BUTYRYL)-2,6,6-TRIMETHYLCYCLOHEXENE
Synonyms	3-( methyl thio)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone 1-(3-( methyl thio)butyryl)-2,6,6-trimethyl cyclohexene 3-( methylthio)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone (+/-)-1-(3-( methylthio)-butyryl)-2,6,6-trimethylcyclohexene 1-(3-( methylthio)-butyryl)-2,6,6-trimethylcyclohexene 1-(3-( methylthio)-butyryl)-2,6,6-trimethylcyclohexene, (+/-) 1-(3-( methylthio)butyryl)-2,6,6-trimethylcyclohexene

(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
FAO:	1-(3-(Methylthio)-butyryl)-2,6,6-trimethylcyclohexene

Material listed in food chemical codex	No
Molecular weight	240.40948486328
Specific gravity	@ 20 °C
Pounds per Gallon	8.272 to 8.297
Refractive Index	1.505 to 1.511 @ 20 °C
Boiling Point	332 to 334°C @ 760 mm Hg
Vapor Pressure	0.000137 mmHg @ 25 °C
Flash Point TCC Value	155 °C TCC
logP (o/w)	4.52 est
Solubility
alcohol	Yes
water, 2.847 mg/L @ 25 °C (est)	Yes
water	No


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-(3-(methyl thio)-butyryl)-2,6,6-trimethyl cyclohexene 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 ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		0.00100	0.01000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		0.00500	0.01000
gelatins / puddings:		0.00100	0.00500
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:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :20332432

National Institute of Allergy and Infectious Diseases:Data

3-(methylsulfanyl)-1-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1-butanone

Chemidplus:0068697676