ethyl 3-(methyl thio)-(E)-2-propenoate
ethyl 3-(methylthio)-trans-propenoate
 
Notes:
None found
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CAS Number: 136115-65-6Picture of molecule3D/inchi
FDA UNII: 33EW5S7PR0
Nikkaji Web: J2.958.033B
XlogP3-AA: 1.20 (est)
Molecular Weight: 146.20910000
Formula: C6 H10 O2 S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
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JECFA Food Flavoring: 1916  ethyl 3-(methylthio)-(2E)-propenoate
FEMA Number: 4564 ethyl 3-(methylthio)-trans-propenoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):136115-65-6 ; ETHYL 3-(METHYLTHIO)-TRANS-2-PROPENOATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 81.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 1.08100 to 1.09000 @  25.00 °C.
Pounds per Gallon - (est).: 8.995 to  9.070
Refractive Index: 1.51000 to 1.54100 @  20.00 °C.
Boiling Point: 200.00 to  202.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.294000 mmHg @ 25.00 °C. (est)
Flash Point: 182.00 °F. TCC ( 83.33 °C. )
logP (o/w): 1.938 (est)
Soluble in:
 alcohol
 water, 3879 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Description:
sweet onion
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
2-Propenoic acid, 3-(methylthio)-, ethyl ester, (E)-
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 ethyl 3-(methyl thio)-(E)-2-propenoate 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): 1.000005.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: 0.010000.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 2.0000010.00000
gelatins / puddings: 2.0000010.00000
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 : 5369325
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 3
 ethyl (E)-3-methylsulfanylprop-2-enoate
Chemidplus: 0136115656
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References:
 ethyl (E)-3-methylsulfanylprop-2-enoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5369325
Pubchem (sid): 10507149
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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
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: Ethyl 3-(methylthio)-(2E)-propenoate
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Potential Blenders and core components note
 
For Odor
alliaceous
 methyl furfuryl disulfideFL/FR
 propyl mercaptanFL/FR
coffee
 coffee difuranFL/FR
ethereal
2-methyl-1-butanolFL/FR
meaty
 meaty dithianeFL/FR
spicy
 ethyl vinyl ketoneFL/FR
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
 ferula assa-foetida absoluteFL/FR
 methyl 3-(methyl thio) propionateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
O-methyl S-1-methoxyhexan-3-yl carbonothioateFL/FR
2-(methyl thio) phenolFL/FR
 onion oilFL/FR
 onion oil CO2 extractFL/FR
 onion oil dutchFL/FR
 onion oil egyptFL/FR
 onion oil mexicoFL/FR
4-tropical oxathianeFL/FR
tropical
cis-galbanum oxathianeFL/FR
 
For Flavor
 
No flavor group found for these
 allyl methyl trisulfideFL
 allyl propyl trisulfideFL
isoamyl mercaptanFL
 diethyl trisulfideFL
 diisoamyl disulfideFL
(Z+E)-2,5-dimethyl-3-tetrahydrofuran thiolFL
(Z+E)-2,5-dimethyl-3-thioacetoxytetrahydrofuranFL
 dipropyl sulfideFL
2-heptane thiolFL
3-mercapto-3-methyl butyl formateFL
4-mercapto-3-methyl-2-butanolFL
3-mercaptohexanalFL
 methyl butyl sulfideFL
4-methyl-2-(methyl thiomethyl)-2-hexenalFL
 prenyl mercaptanFL
isopropyl disulfideFL
alliaceous
 allium porrum extractFL
 allyl disulfideFL
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dicyclohexyl disulfideFL
 diethyl disulfideFL
 leek oilFL
2-methyl thioacetaldehydeFL
 propyl mercaptanFL/FR
 shallot oilFL
coffee
 coffee difuranFL/FR
 methyl furfuryl disulfideFL/FR
eggy
isopropyl mercaptanFL
ethereal
2-methyl-1-butanolFL/FR
fruity
4-tropical oxathianeFL/FR
garlic
 allyl methyl sulfideFL
 garlic oleoresinFL
green
cis-galbanum oxathianeFL/FR
meaty
 meaty dithianeFL/FR
3-mercapto-2-butanoneFL
(R,S)-2-mercapto-3-butanolFL
2-(methyl thio) phenolFL/FR
bis(2-methyl-3-furyl) disulfideFL
ortho-thiocresolFL
musty
2-methyl 5-(methyl thio) furanFL/FR
onion
 methionolFL
 methyl propyl trisulfideFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
O-methyl S-1-methoxyhexan-3-yl carbonothioateFL/FR
savory
2,4,6-triethyl tetrahydro-1,3,5-dithiazineFL
seafood
1,4-dithianeFL
spicy
 ethyl vinyl ketoneFL/FR
sulfurous
 allyl sulfideFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 dimethyl disulfideFL/FR
 dimethyl sulfideFL/FR
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
 methyl 2-(methyl thio) butyrateFL
 methyl 2-methyl-3-furyl disulfideFL
 methyl 4-(methyl thio) butyrateFL
 methyl benzyl disulfideFL
 methyl thiomethyl butyrateFL
2-methyl thiopheneFL
 onion oilFL/FR
 onion oil CO2 extractFL/FR
 onion oil dutchFL/FR
 onion oil egyptFL/FR
 onion oil mexicoFL/FR
 onion oleoresinFL
vegetable
 methyl 3-(methyl thio) propionateFL/FR
 
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Potential Uses:
 fruitFR
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Occurrence (nature, food, other): note
 passion fruit yellow
Search Trop  Picture
 pear fruit
Search Trop  Picture
 pineapple fruit
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Synonyms:
 ethyl (E)-3-methylsulfanylprop-2-enoate
 ethyl 3-(methyl thio)-(2E)-propenoate
 ethyl 3-(methylthio) (E)-2-propenoate
 ethyl 3-(methylthio)-(2E)-propenoate
 ethyl 3-(methylthio)-(E)-2-propenoate
 ethyl 3-(methylthio)-trans-propenoate
2-propenoic acid, 3-(methylthio)-, ethyl ester, (E)-
(E)-2-propenoic acid, 3-methylthio-, ethyl ester
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