4-methyl-2-methyl thiomethyl-2-pentenal

flavoring agents

2D:
3D:
CAS Number:	40878-73-7
FDA UNII:	1G46E74K99
Category:	flavoring agents
IUPAC Name:	4-methyl-2-methyl thiomethyl-2-pentenal
InChI :	InChI=1/C8H14OS/c1-7(2)4-8(5-9)6-10-3/h4-5,7H,6H2,1-3H3/b8-4+
Std.InChI:	InChI=1S/C8H14OS/c1-7(2)4-8(5-9)6-10-3/h4-5,7H,6H2,1-3H3/b8-4+
InChIKey :	FNHVKVSDWQLOEU-XBXARRHUBH
Std.InChIKey:	FNHVKVSDWQLOEU-XBXARRHUSA-N
SMILES :	CC(C)C=C(CSC)C=O
Molar Refractivity :	47.15 ± 0.3 cm3 (est)
Parachor :	390.7 ± 4.0 cm3 (est)
Index of Refraction :	1.481 ± 0.02 (est)
Surface Tension :	30.9 ± 3.0 dyne/cm (est)
Density :	0.955 ± 0.06 g/cm3 (est)
Polarizability :	18.69 ± 0.5 10-24cm3 (est)

US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:

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NCBI:	Search
JECFA Food Flavoring:	1918 4-methyl-2-(methylthiomethyl)-2-pentenal
FEMA Number:	4568 4-methyl-2-(methylthiomethyl)-2-pentenal
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	40878-73-7 ; 4-METHYL-2-(METHYLTHIOMETHYL)-2-PENTENAL

Appearance:	colorless to yellow clear liquid (est)
Assay:	95.00 to 100.00
Food Chemicals Codex Listed:	No
Specific Gravity:	0.97100 to 0.98100 @ 20.00 °C.
Pounds per Gallon - (est).:	8.089 to 8.172
Refractive Index:	1.48800 to 1.49800 @ 20.00 °C.
Boiling Point:	69.00 to 70.00 °C. @ 2.00 mm Hg
Soluble in:
	water, 1029 mg/L @ 25 °C (est)

None found

Need This Item for Flavor/Food?: You can contact the Chemical Sources Association


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-pentenal 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:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		0.00100	0.00500
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:		-	-
soft candy:		-	-
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

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Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :71587152

National Institute of Allergy and Infectious Diseases:Data

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

Chemidplus:0040878737

	(E)-4-methyl-2-(methylsulfanylmethyl)pent-2-enal
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	71587152
Pubchem (sid):	163640254

(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-pentenal

None Found

None Found

not found in nature

4-	methyl-2-((methyl sulfanyl)methyl) pent-2-enal
4-	methyl-2-((methylsulfanyl)- methyl)pent-2-enal
4-	methyl-2-((methylsulfanyl)methyl)pent-2-enal
4-	methyl-2-(methyl thiomethyl)-2-pentenal
(E)-4-	methyl-2-(methylsulfanylmethyl)pent-2-enal
4-	methyl-2-(methylthiomethyl)-2-pentenal
2-	methylmercaptomethyl-4-methylpent-2-enal
2-	pentenal, 4-methyl-2-((methylthio)methyl)-

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