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5-methyl-2-(methyl thiomethyl)-2-hexenal
5-methyl-2-(methylthiomethyl)-2-hexenal

Supplier Sponsors

CAS Number: 85407-25-6Picture of molecule3D/inchi
FDA UNII: 709DSH95S8
XlogP3-AA:2.20 (est)
Molecular Weight:172.29072000
Formula:C9 H16 O S
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring:1920 5-methyl-2-(methylthiomethyl)-2-hexenal
FEMA Number:4567 5-methyl-2-(methylthiomethyl)-2-hexenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):85407-25-6 ; 5-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.95600 to 0.96600 @ 20.00 °C.
Pounds per Gallon - (est).: 7.964 to 8.047
Refractive Index:1.49400 to 1.50400 @ 20.00 °C.
Boiling Point: 96.00 °C. @ 3.00 mm Hg
Soluble in:
 water, 337.1 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Description:onion meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
5-methyl-2-(methyl thiomethyl)-2-hexenal
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
Safety in Use Information:
Category:
flavoring agents
Recommendation for 5-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 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: --
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: 0.100000.50000
snack foods: 0.100000.50000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
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 :21999737
National Institute of Allergy and Infectious Diseases:Data
(E)-5-methyl-2-(methylsulfanylmethyl)hex-2-enal
Chemidplus:0085407256
 
References:
 (E)-5-methyl-2-(methylsulfanylmethyl)hex-2-enal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):21999737
Pubchem (sid):163640943
 
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:5-Methyl-2-(methylthiomethyl)-2-hexenal
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-hexenal, 5-methyl-2-((methylthio)methyl)-
5-methyl-2-((methyl sulfanyl)methyl) hex-2-enal
5-methyl-2-((methylsulfanyl)-methyl)hex-2-enal
5-methyl-2-((methylsulfanyl)methyl)hex-2-enal
(E)-5-methyl-2-(methylsulfanylmethyl)hex-2-enal
5-methyl-2-(methylthiomethyl)-2-hexenal
 
 
Notes:
None found
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