EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

ethyl 3-(methyl thio)-(E)-2-propenoate
ethyl 3-(methylthio)-trans-propenoate

Supplier Sponsors

Name:ethyl (E)-3-methylsulfanylprop-2-enoate
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, Edge 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
PubMed:Search
NCBI:Search
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
 
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
 
Organoleptic Properties:
Odor Description:sweet onion
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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 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 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: --
 
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
 
References:
 ethyl (E)-3-methylsulfanylprop-2-enoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5369325
Pubchem (sid):10507149
 
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
 
Potential Blenders and core components note
For Odor
alliaceous
methyl furfuryl disulfide
FL/FR
propyl mercaptan
FL/FR
coffee
coffee difuran
FL/FR
ethereal
2-
methyl-1-butanol
FL/FR
meaty
meaty dithiane
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
ferula assa-foetida absolute
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
2-(
methyl thio) phenol
FL/FR
onion oil
FL/FR
onion oil CO2 extract
FL/FR
onion oil dutch
FL/FR
onion oil egypt
FL/FR
onion oil mexico
FL/FR
4-
tropical oxathiane
FL/FR
tropical
cis-
galbanum oxathiane
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
iso
amyl mercaptan
FL
diethyl trisulfide
FL
diisoamyl disulfide
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
dipropyl sulfide
FL
2-
heptane thiol
FL
3-
mercapto-3-methyl butyl formate
FL
4-
mercapto-3-methyl-2-butanol
FL
3-
mercaptohexanal
FL
methyl butyl sulfide
FL
4-
methyl-2-(methyl thiomethyl)-2-hexenal
FL
prenyl mercaptan
FL
iso
propyl disulfide
FL
alliaceous
alliaceous
allium porrum extract
FL
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dicyclohexyl disulfide
FL
diethyl disulfide
FL
leek oil
FL
2-
methyl thioacetaldehyde
FL
propyl mercaptan
FL/FR
shallot oil
FL
coffee
coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
eggy
iso
propyl mercaptan
FL
ethereal
2-
methyl-1-butanol
FL/FR
fruity
4-
tropical oxathiane
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
cis-
galbanum oxathiane
FL/FR
meaty
meaty dithiane
FL/FR
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
musty
2-
methyl 5-(methyl thio) furan
FL/FR
onion
methionol
FL
methyl propyl trisulfide
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
O-
methyl S-1-methoxyhexan-3-yl carbonothioate
FL/FR
savory
2,4,6-
triethyl tetrahydro-1,3,5-dithiazine
FL
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
dimethyl disulfide
FL/FR
dimethyl sulfide
FL/FR
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
methyl 2-(methyl thio) butyrate
FL
methyl 2-methyl-3-furyl disulfide
FL
methyl 4-(methyl thio) butyrate
FL
methyl benzyl disulfide
FL
methyl thiomethyl butyrate
FL
2-
methyl thiophene
FL
onion oil
FL/FR
onion oil CO2 extract
FL/FR
onion oil dutch
FL/FR
onion oil egypt
FL/FR
onion oil mexico
FL/FR
onion oleoresin
FL
vegetable
methyl 3-(methyl thio) propionate
FL/FR
 
Potential Uses:
FRfruit
 
Occurrence (nature, food, other):note
 passion fruit yellow
Search Trop Picture
 pear fruit
Search Trop Picture
 pineapple fruit
Search Trop Picture
 
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
 
 
Notes:
None found
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2021 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy