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ethyl 2-mercaptopropionate

Chemical Structure

General Material Information

Preferred name ethyl 2-mercaptopropionate
Trivial Name Ethyl 2-mercaptopropionate
Short Description propionic acid, 2-mercapto-, ethyl ester
Formula C5 H10 O2 S
CAS Number 19788-49-9
FEMA Number 3279
Flavis Number 12.046
ECHA Number 243-314-5
FDA UNII 3I8OLS586D
Nikkaji Number J101.165K
MDL MFCD00040233
COE Number 11469
xLogP3-AA 1.20 (est)
NMR Predictor External link
JECFA Food Flavoring 552 ethyl 2-mercaptopropionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 19788-49-9 ; ETHYL 2-MERCAPTOPROPIONATE
Synonyms
  • ethyl 2-mercaptopropanoate
  • ethyl 2-sulfanylpropanoate
  • ethyl alpha-mercaptopropionate
  • ethyl thiolactate
  • ethyl-2-mercaptopropionate
  • 2-mercaptopropanoic acid ethyl ester
  • 2-mercaptopropionic acid ethyl ester
  • propanoic acid, 2-mercapto-, ethyl ester
  • propionic acid, 2-mercapto-, ethyl ester
  • Ethyl α-mercaptopropionate
  • 2-Mercaptopropionic acid ethyl ester
  • (±)-2-Mercaptopropionic acid ethyl ester
  • α-Mercaptopropionic acid ethyl ester
  • 2-Mercaptopropanoic acid ethyl ester

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB31521
FooDB:FDB009398
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
FAO:Ethyl 2-mercaptopropionate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 134.1981048584
Specific gravity @ 20 °C
Pounds per Gallon 8.606 to 8.689
Refractive Index 1.444 to 1.454 @ 20 °C
Boiling Point 40 to 41°C @ 1 mm Hg
Vapor Pressure 1.382 mmHg @ 25 °C
Flash Point TCC Value 58.33 °C TCC
logP (o/w) 1.488 est
Solubility
alcohol Yes
water, 7947 mg/L @ 25 °C (est) Yes
water No
Stability
stable in most media Unspecified

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, meaty, onion green onion
General comment At 0.10 % in dipropylene glycol. sulfury meaty green onion
Flavor Type: Onion
onion, cooked, garlic
General comment Onion cooked garlic

Occurrences

Potential Uses

Applications
Odor purposes Fruit, Guava, Passion fruit, Wine
Flavoring purposes Cheese, Tropical

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
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:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for ethyl 2-mercaptopropionate usage levels up to:
0.0100 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.39 (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: 5
Click here to view publication 5
average usual ppmaverage maximum ppm
baked goods: -1.50000
beverages(nonalcoholic): -0.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: -10.00000
fish products: --
frozen dairy: -0.10000
fruit ices: -0.10000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -1.20000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -0.20000
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

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):19788-49-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :519709
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
ethyl 2-sulfanylpropanoate
Chemidplus:0019788499