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ethyl methyl mercaptopropionate

Chemical Structure

General Material Information

Preferred name ethyl methyl mercaptopropionate
Trivial Name Ethyl 3-methylthiopropionate
Short Description ethyl 3-methylthiopropionate
Formula C6 H12 O2 S
CAS Number 13327-56-5
FEMA Number 3343
Flavis Number 12.053
ECHA Number 236-370-7
FDA UNII 1AVT374NII
Nikkaji Number J213.846H
MDL MFCD00039900
COE Number 11476
xLogP3-AA 1.10 (est)
Bio Activity Summary External link
NMR Predictor External link
JECFA Food Flavoring 476 ethyl 3-methylthiopropionate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 13327-56-5 ; ETHYL 3-METHYLTHIOPROPIONATE
Synonyms
  • ethyl (3-methylthio) propionate
  • ethyl (3-methylthio) propionate natural
  • ethyl 3-(methyl thio) propanoate
  • ethyl 3-(methyl thio) propionate
  • ethyl 3-(methylmercapto)propionate
  • ethyl 3-(methylsulfanyl)propanoate
  • ethyl 3-(methylthio propionate
  • ethyl 3-(methylthio)-propionate
  • ethyl 3-(methylthio)propanoate
  • ethyl 3-(methylthio)propionate
  • ethyl 3-methyl mercaptopropionate
  • ethyl 3-methyl thiopropionate
  • ethyl 3-methyl thiopropionate FCC
  • ethyl 3-methylsulfanylpropanoate
  • ethyl 3-methylthio propionate
  • ethyl 3-methylthiopropionate
  • ethyl beta-methyl thiopropionate
  • ethyl methylthioproprionate natural
  • ethyl-3-(methyl thio) propionate
  • ethyl-3-(methylthio)-propionate natural
  • ethyl-3-methyl thio propionate
  • ethyl-3-methyl thiopropionate
  • ethyl-3-methylthio propionate
  • ethyl-3-methylthiopropionate
  • ethyl-3-metylthiopropionate, natural
  • 3-( methyl thio) propionic acid ethyl ester
  • 3-methyl thiopropionic acid ethyl ester
  • 3-( methylthio)propanoic acid ethyl ester
  • (3-methylthio)propionic acid ethyl ester
  • 3-( methylthio)propionic acid ethyl ester
  • 3-( methylthio)propionic acid ethylester
  • pineapple thiopropionate
  • propanoic acid, 3-(methylthio)-, ethyl ester
  • propionic acid, 3-methylthio-, ethyl ester
  • Propionic acid, 3-(methylthio)-, ethyl ester
  • Ethyl β-methylthiopropionate
  • 3-(Methylthio)propionic acid ethyl ester
  • Ethyl 3-methylthiopropanoate
  • NSC 165650
  • 3-(Methylthio)propanoic acid ethyl ester
  • Ethyl 3-methylthio-1-propanoate
  • Ethyl 3-methylmercapto-propionate

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
CHEBI:View
HMDB (The Human Metabolome Database):HMDB40413
FooDB:FDB020145
Export Tariff Code:2930.90.4950
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl 3-methylthiopropionate

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 148.22503662109
Specific gravity @ 25 °C
Pounds per Gallon 8.571 to 8.612
Refractive Index 1.457 to 1.463 @ 20 °C
Boiling Point 196 to 197°C @ 760 mm Hg
Acid Value 1 max KOH/g
Vapor Pressure 0.324 mmHg @ 25 °C
Vapor Density 5.1
Flash Point TCC Value 78.89 °C TCC
logP (o/w) 1.352 est
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
water, 4534 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, metallic, pineapple, fruity, ripe, pulpy, tomato
General comment At 0.10 % in propylene glycol. sulfury metallic pineapple fruity ripe pulpy tomato
Mosciano, Gerard P&F 19, No. 1, 27, (1994) Sulfureous, metallic, pineapple, fruity ripe, pulpy and tomato
Flavor Type: Sulfurous
sulfurous, onion, garlic, pineapple, rummy, vegetable
Mosciano, Gerard P&F 19, No. 1, 27, (1994) At 30.00 ppm. Sulfureous, onion garlic, pineapple, rumy, vegetative
Used in bakery and soft confection at 2ppm, and desserts and beverages at 1ppm. Fruity

Occurrences

Potential Uses

Applications
Odor purposes Citrus, Passion fruit, Pineapple
Flavoring purposes Bakery, Beverage, Cheese, Fruit tropical fruit, Tomato, Vegetable
Other purposes Confection

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:
gavage-rat LD50 [sex: M,F] > 5000 mg/kg
(Panasevich et al., 1980)

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 methyl mercaptopropionate usage levels up to:
0.0500 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 24.00 (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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -2.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -1.00000
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):13327-56-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61592
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
ethyl 3-methylsulfanylpropanoate
Chemidplus:0013327565