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ethyl 3-mercaptopropionate

Chemical Structure

General Material Information

Preferred name ethyl 3-mercaptopropionate
Trivial Name Ethyl 3-mercaptopropionate
Short Description 3-mercaptopropionic acid ethyl ester
Formula C5 H10 O2 S
CAS Number 5466-06-8
FEMA Number 3677
Flavis Number 12.083
ECHA Number 226-771-5
FDA UNII 22GQZ8P70D
Nikkaji Number J101.168E
MDL MFCD00004896
COE Number 11469
xLogP3-AA 0.70 (est)
NMR Predictor External link
JECFA Food Flavoring 553 ethyl 3-mercaptopropionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 5466-06-8 ; ETHYL 3-MERCAPTOPROPIONATE
Synonyms
  • ethyl 3-mercapto propionate
  • ethyl 3-mercaptopropanoate
  • ethyl 3-sulfanylpropanoate
  • ethyl 3-thiopropionate
  • ethyl b-mercaptopropionate
  • ethyl beta-mercaptopropionate
  • ethyl-3-mercaptopropionate
  • 3-mercaptopropanoic acid ethyl ester
  • 3-mercaptopropionic acid ethyl ester
  • propanoic acid, 3-mercapto-, ethyl ester
  • propionic acid, 3-mercapto-, ethyl ester
  • Ethyl β-mercaptopropionate
  • 3-Mercaptopropanoic acid ethyl ester
  • 3-Mercaptopropionic acid ethyl ester
  • NSC 25754
  • β-Mercaptopropionic acid ethyl ester
  • EPM (thiol)
  • EPM

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB40410
FooDB:FDB020142
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl 3-mercaptopropionate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 134.1981048584
Specific gravity @ 20 °C
Pounds per Gallon 8.814 to 8.856
Refractive Index 1.455 to 1.459 @ 20 °C
Boiling Point 75 to 76°C @ 10 mm Hg
Vapor Pressure 0.445 mmHg @ 25 °C
Flash Point TCC Value 72.78 °C TCC
logP (o/w) 1.373 est
Solubility
alcohol Yes
water, 6878 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
animal, fruity, grape, skunk, meaty
General comment At 0.10 % in propylene glycol. animal foxy fruity grape skunky

Occurrences

Potential Uses

Applications
Odor purposes Grape concord grape
Other purposes Skunk

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
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
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.073 (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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: -7.50000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: -0.50000
gelatins / puddings: --
granulated sugar: --
gravies: -6.00000
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

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):5466-06-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :21625
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl 3-sulfanylpropanoate
Chemidplus:0005466068