4-methyl-2-methyl thiomethyl-2-pentenal
4-methyl-2-(methylthiomethyl)-2-pentenal
 
Notes:
None found
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CAS Number: 40878-73-7Picture of molecule3D/inchi
FDA UNII: 1G46E74K99
XlogP3-AA: 1.80 (est)
Molecular Weight: 158.26378000
Formula: C8 H14 O S
NMR Predictor: Predict (works with chrome, Edge or firefox)
Category: flavoring agents
 
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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
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Physical Properties:
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)
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Organoleptic Properties:
Odor Description:
sulfurous
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
4-methyl-2-methyl thiomethyl-2-pentenal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
 
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
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Safety in Use Information:
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 ppmaverage 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: 0.001000.00500
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: --
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
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
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References:
 (E)-4-methyl-2-(methylsulfanylmethyl)pent-2-enal
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 71587152
Pubchem (sid): 163640254
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Other Information:
(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
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
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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