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

Supplier Sponsors

Name:(E)-4-methyl-2-(methylsulfanylmethyl)hex-2-enal
CAS Number: 99910-84-6Picture of molecule3D/inchi
FDA UNII:2W7IW92688
XlogP3-AA:2.30 (est)
Molecular Weight:172.29072000
Formula:C9 H16 O S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1919 4-methyl-2-(methylthiomethyl)-2-hexenal
FEMA Number:4566 4-methyl-2-(methylthiomethyl)-2-hexenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):99910-84-6 ; 4-METHYL-2-(METHYLTHIOMETHYL)-2-HEXENAL
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96400 to 0.97400 @ 20.00 °C.
Pounds per Gallon - (est).: 8.031 to 8.114
Refractive Index:1.49700 to 1.50700 @ 20.00 °C.
Boiling Point: 92.00 to 102.00 °C. @ 5.00 mm Hg
Soluble in:
 water, 337.1 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: onion
onion meaty soup
Odor Description:onion meaty soup
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
4-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 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
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: 0.050000.50000
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: 0.050000.50000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
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
 
References:
 (E)-4-methyl-2-(methylsulfanylmethyl)hex-2-enal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):71587376
Pubchem (sid):163641147
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
sulfurous
2-(
methyl thio) phenol
FL/FR
For Flavor
No flavor group found for these
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
iso
propyl disulfide
FL
meaty
meaty
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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, (+/-)-
 

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