alpha-benzylidene methional

General Material Information

Preferred name	alpha-benzylidene methional
Trivial Name	(E)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal
Short Description	2-(methylthiomethyl)-3-phenylpropenal
Formula	C11 H12 O S
CAS Number	65887-08-3
CAS Number	1374790-21-2
FEMA Number	3717
Flavis Number	12.087
FDA UNII	XF4D8W6PRJ
Nikkaji Number	J1.539.985F
MDL	MFCD01736617
xLogP3-AA	2.30 (est)
NMR Predictor	External link
JECFA Food Flavoring	505 2-(methylthiomethyl)-3-phenylpropenal
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	65887-08-3 ; 2-(METHYLTHIOMETHYL)-3-PHENYLPROPENAL
Synonyms	(Z,E)-2-( methyl thio) methyl-3-phenyl-2-propen-1-al 2-( methyl thio) methyl-3-phenyl-2-propen-1-al cis,trans-2-( methyl thio) methyl-3-phenyl-2-propen-1-al (Z,E)-2-(( methyl thio)methyl)-3-phenyl-2-propen-1-al 2-(( methyl thio)methyl)-3-phenyl-2-propen-1-al cis,trans-2-(( methyl thio)methyl)-3-phenyl-2-propen-1-al (Z,E)-2-methyl thiomethyl-3-phenyl-2-propen-1-al cis,trans-2-methyl thiomethyl-3-phenyl-2-propen-1-al 2-( methyl thiomethyl)-3-phenyl propen-1-al 2-( methyl thiomethyl)-3-phenyl propenal (Z,E)-2-( methyl thiomethyl)-3-phenyl-2-propen-1-al cis,trans-2-( methyl thiomethyl)-3-phenyl-2-propen-1-al (E)-2-( methylsulfanylmethyl)-3-phenylprop-2-enal 2-( methylthiomethyl)-3-phenylpropenal

(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):	HMDB37166
FooDB:	FDB016162
ChemSpider:	View
FAO:	2-(Methylthiomethyl)-3-phenylpropenal

BOC Sciences	DeLong Chemicals America
Parchem	Penta International
Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	192.2808380127
Specific gravity	@ 25 °C
Pounds per Gallon	8.987 to 9.028
Refractive Index	1.622 to 1.632 @ 20 °C
Flash Point TCC Value	188.8 °C TCC
logP (o/w)	3.391 est
Solubility
alcohol	Yes
fats	Yes
water, 385.7 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Green
green, weedy, broccoli, bean green bean, vegetable, sauerkraut, kimchi, cabbage, onion green onion
General comment	At 0.10 % in dipropylene glycol. green weedy broccoli green bean
Mosciano, Gerard, (2009)	At 1.00 %. vegetative sauerkraut, kimchi, cabbage, soy beans, green onion nuances
Flavor Type: Vegetable
vegetable, sauerkraut, kimchi, cabbage, onion green onion
Mosciano, Gerard, (2009)	At 1.00 ppm. Vegetative sauerkraut, kimchi, cabbage, soy beans, green onion nuances


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 alpha-benzylidene methional usage levels up to:
	not for fragrance use.

NOEL (No Observed Effect Level):		1.4 (mg/kg bw per day)
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: 13
Click here to view publication 13
		average usual ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	1.00000
hard candy:		-	-
imitation dairy:		-	0.50000
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	1.00000
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	0.50000
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	1.00000
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :16204499

National Institute of Allergy and Infectious Diseases:Data

(E)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal

Chemidplus:0065887083

(Z)-2-(methylsulfanylmethyl)-3-phenylprop-2-enal

Chemidplus:1374790212