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2-ethyl hexyl 3-mercaptopropionate
2-ethylhexyl 3-mercaptopropionate

Supplier Sponsors

Name:2-ethylhexyl 3-sulfanylpropanoate
CAS Number: 50448-95-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:256-589-1
FDA UNII: OW5186THXB
Nikkaji Web:J383.028D
MDL:MFCD00087933
XlogP3-AA:3.50 (est)
Molecular Weight:218.35974000
Formula:C11 H22 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:1938 2-ethylhexyl 3-mercaptopropionate
FEMA Number:4588 2-ethylhexyl 3-mercaptopropionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):50448-95-8 ; 2-ETHYLHEXYL 3-MERCAPTOPROPIONATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96400 to 0.97000 @ 20.00 °C.
Pounds per Gallon - (est).: 8.031 to 8.081
Refractive Index:1.45800 to 1.46400 @ 20.00 °C.
Boiling Point: 283.00 to 284.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.003000 mmHg @ 25.00 °C. (est)
Flash Point: 299.00 °F. TCC ( 148.33 °C. )
logP (o/w): 4.274 (est)
Soluble in:
 alcohol
 water, 9.606 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Propanoic acid,3-mercapto-, 2-ethylhexyl ester
BOC Sciences
For experimental / research use only.
3-Mercaptopropionic acid 2-ethylhexyl ester
BRUNO BOCK
2-Ethylhexyl 3-Mercaptopropionate
Odor: characteristic
Use: 2-Ethylhexyl 3-Mercaptopropionate is produced with 3-Mercaptopropionic Acid from EVANS CHEMETICS as a high purity, distilled quality product which is also suitable for export into countries with warm climate where a longer shelf life at elevated temperatures is required.
Parchem
2-ethylhexyl 3-mercaptopropionate
Santa Cruz Biotechnology
For experimental / research use only.
2-Ethylhexyl 3-mercaptopropionate
Sigma-Aldrich: Aldrich
For experimental / research use only.
2-Ethylhexyl 3-mercaptopropionate
TCI AMERICA
For experimental / research use only.
2-Ethylhexyl 3-Mercaptopropionate >97.0%(GC)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
 
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 2-ethyl hexyl 3-mercaptopropionate 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: 0.200002.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: 2.0000010.00000
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
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: 0.200002.00000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):50448-95-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :92640
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-ethylhexyl 3-sulfanylpropanoate
Chemidplus:0050448958
 
References:
 2-ethylhexyl 3-sulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:50448-95-8
Pubchem (cid):92640
Pubchem (sid):135116803
 
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
Export Tariff Code:2930.90.9190
ChemSpider:View
FAO:2-Ethylhexyl 3-mercaptopropionate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
2-ethyl hexyl 3-mercaptopropanoate
2-ethyl hexyl beta-mercaptopropionate
2-ethylhexyl 3-mercaptopropanoate
2-ethylhexyl 3-mercaptopropionate
2-ethylhexyl 3-sulfanylpropanoate
2-ethylhexyl beta-mercaptopropionate
3-mercaptopropanoic acid 2-ethyl hexyl ester
3-mercaptopropanoic acid 2-ethylhexyl ester
3-mercaptopropionic acid 2-ethylhexyl ester
2-octyl 3-mercaptopropionate
 propanoic acid, 3-mercapto-, 2-ethylhexyl ester
 propanoic acid,3-mercapto-, 2-ethylhexyl ester
 
 
Notes:
None found
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