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

ethyl 2-(methyl dithio) propionate
ethyl 2-(methyldithio)propionate

Supplier Sponsors

Name:ethyl 2-methyldisulfanylpropanoate
CAS Number: 23747-43-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:245-862-0
FDA UNII:LTB6AT933D
Nikkaji Web:J242.665J
CoE Number:11471
XlogP3-AA:1.60 (est)
Molecular Weight:180.29004000
Formula:C6 H12 O2 S2
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (2R)-2-methyldisulfanylpropanoate
CAS Number: 23747-43-5 (R)Picture of molecule3D/inchi
XlogP3-AA:1.60 (est)
Molecular Weight:180.29004000
Formula:C6 H12 O2 S2
NMR Predictor:Predict (works with chrome or firefox)
Name:ethyl (2S)-2-methyldisulfanylpropanoate
CAS Number: 23747-43-5 (S)Picture of molecule3D/inchi
XlogP3-AA:1.60 (est)
Molecular Weight:180.29004000
Formula:C6 H12 O2 S2
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:581 ethyl 2-(methyldithio)propionate
FLAVIS Number:12.121 (Old)
DG SANTE Food Flavourings:12.121 ethyl 2-(methyldithio)propionate
FEMA Number:3834 ethyl 2-(methyldithio)propionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):23747-43-5 ; ETHYL 2-(METHYLDITHIO)PROPIONATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.09000 to 1.12000 @ 25.00 °C.
Pounds per Gallon - (est).: 9.070 to 9.320
Refractive Index:1.49000 to 1.50000 @ 20.00 °C.
Boiling Point: 105.00 °C. @ 12.00 mm Hg
Boiling Point: 220.00 to 221.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.113000 mmHg @ 25.00 °C. (est)
Flash Point: 193.00 °F. TCC ( 89.44 °C. )
logP (o/w): 2.758 (est)
Soluble in:
 alcohol
 oils
 water, very slightly
 water, 570.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
sulfurous fruity
Odor Description:at 100.00 %. sulfury fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 2-(methyldithio)propionate
Parchem
ethyl 2-(methyl dithio) propionate
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 2-(methyl dithio) propionate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (μg/capita/day)
Structure Class: I
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: 18
Click here to view publication 18
 average usual ppmaverage maximum ppm
baked goods: 1.0000010.00000
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: 1.000002.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 1.0000010.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: 0.500005.00000
reconstituted vegetables: --
seasonings / flavors: 10.0000010.00000
snack foods: --
soft candy: --
soups: 1.0000010.00000
sugar substitutes: --
sweet sauces: --
 
Safety References:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

EPI System: View
EPA Substance Registry Services (TSCA):23747-43-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :90972
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-methyldisulfanylpropanoate
Chemidplus:0023747435
ethyl (2R)-2-methyldisulfanylpropanoate
ethyl (2S)-2-methyldisulfanylpropanoate
 
References:
 ethyl 2-methyldisulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):90972
Pubchem (sid):135049526
 ethyl (2R)-2-methyldisulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7157019
Pubchem (sid):43752994
 ethyl (2S)-2-methyldisulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):7015740
Pubchem (sid):43612492
 
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):HMDB38896
FooDB:FDB018359
Export Tariff Code:2915.50.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl 2-(methyldithio)propionate
 
Potential Blenders and core components note
For Odor
balsamic
2-
acetyl furan
FL/FR
iso
amyl cinnamate
FL/FR
amyl cinnamate
FL/FR
butyl cinnamate
FL/FR
caramellic
fenugreek oleoresin
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
chocolate pyrazine A
FL/FR
cocoa hexenal
FL/FR
cocoa oleoresin
FL/FR
cocoa pentenal
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,5-
dimethyl pyrazine
FL/FR
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
ethereal
iso
propyl formate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
ethyl phenyl acetate
FL/FR
green
butyl 2-methyl butyrate
FL/FR
phenyl acetaldehyde
FL/FR
herbal
gamma-
valerolactone
FL/FR
milky
laevo-
glutamine
CS
musty
cocoa butenal
FL/FR
nutty
3,6-
cocoa pyrazine
FL/FR
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
vinyl sulfurol
FL/FR
roasted
fenugreek resinoid
FL/FR
waxy
phenethyl octanoate
FL/FR
For Flavor
No flavor group found for these
butyl 2-methyl butyrate
FL/FR
butyl cinnamate
FL/FR
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
2(4)-iso
butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
FL
chocolate pyrazine A
FL/FR
4,5-
dimethyl-2-ethyl thiazole
FL
2-
methoxypyrazine
FL/FR
peanut dithiazine
FL
balsamic
balsamic
amyl cinnamate
FL/FR
bitter
methyl ethoxypyrazine
FL
brown
fenugreek oleoresin
FL/FR
caramellic
fenugreek resinoid
FL/FR
chocolate
cocoa oleoresin
FL/FR
cocoa propanal
FL
cocoa
butyraldehyde
FL
cocoa hexenal
FL/FR
floral
iso
amyl cinnamate
FL/FR
iso
amyl phenyl acetate
FL/FR
cocoa pentenal
FL/FR
fruity
phenethyl octanoate
FL/FR
iso
propyl formate
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
green
cocoa butenal
FL/FR
2-
ethyl butyraldehyde
FL
honey
ethyl phenyl acetate
FL/FR
phenyl acetaldehyde
FL/FR
musty
2,5-
dimethyl pyrazine
FL/FR
2,3,5-
trimethyl pyrazine
FL/FR
nutty
2-
acetyl furan
FL/FR
3,6-
cocoa pyrazine
FL/FR
2,6-
dimethyl pyrazine
FL/FR
2,4-
dimethyl-5-vinyl thiazole
FL
2,6-
lutidine
FL/FR
2-
methyl pyrazine
FL/FR
2,3,5,6-
tetramethyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
vinyl sulfurol
FL/FR
tonka
gamma-
valerolactone
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FLchocolate cocoa
FLcoffee
FLpineapple
 
Occurrence (nature, food, other):note
 cocoa
Search Trop Picture
 
Synonyms:
 ethyl 2-(methyldisulfanyl)propanoate
 ethyl 2-(methyldithio) propionate
 ethyl 2-(methyldithio)propionate
 ethyl 2-methyldisulfanylpropanoate
 ethyl methyldithiopropionate
2-(methyl dithio) propanoic acid ethyl ester
2-(methyldithio) propanoic acid ethyl ester
 propanoic acid, 2-(methyldithio)-, ethyl ester
 

Articles:

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Notes:
Flavouring agent for baked goods and seasonings
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