4-methyl-2-(methyl thiomethyl)-2-hexenal

General Material Information

Preferred name	4-methyl-2-(methyl thiomethyl)-2-hexenal
Trivial Name	(E)-4-methyl-2-(methylsulfanylmethyl)hex-2-enal
Short Description	4-methyl-2-(methylthiomethyl)-2-hexenal
Formula	C9 H16 O S
CAS Number	99910-84-6
FEMA Number	4566
FDA UNII	2W7IW92688
xLogP3-AA	2.30 (est)
NMR Predictor	External link
JECFA Food Flavoring	1919 4-methyl-2-(methylthiomethyl)-2-hexenal
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	99910-84-6 ; 4-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL
Synonyms	2-hexenal, 4-methyl-2-((methylthio)methyl)- 4-methyl-2-((methyl sulfanyl)methyl) hex-2-enal 4-methyl-2-((methylsulfanyl)-methyl)hex-2-enal 4-methyl-2-((methylsulfanyl)methyl)hex-2-enal (E)-4-methyl-2-(methylsulfanylmethyl)hex-2-enal (+/-)-4-methyl-2-(methylthiomethyl)-2-hexenal 4-methyl-2-(methylthiomethyl)-2-hexenal 4-methyl-2-(methylthiomethyl)-2-hexenal, (+/-)-

(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
ChemSpider:	View
FAO:	4-Methyl-2-(methylthiomethyl)-2-hexenal

Material listed in food chemical codex	No
Molecular weight	172.29072570801
Specific gravity	@ 20 °C
Pounds per Gallon	8.031 to 8.114
Refractive Index	1.497 to 1.507 @ 20 °C
Boiling Point	92 to 102°C @ 5 mm Hg
Solubility
water, 337.1 mg/L @ 25 °C (est)	Yes


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 4-methyl-2-(methyl thiomethyl)-2-hexenal 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:		0.05000	0.50000
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
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:		0.05000	0.50000
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 :71587376

National Institute of Allergy and Infectious Diseases:Data

(E)-4-methyl-2-(methylsulfanylmethyl)hex-2-enal

Chemidplus:0099910846