ethyl 3-(ethyl thio) butyrate
ethyl 3-(ethylthio)butyrate
 
Notes:
None found
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CAS Number: 90201-28-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 290-671-8
FDA UNII: GTO77Z933P
Nikkaji Web: J318.977E
XlogP3-AA: 1.90 (est)
Molecular Weight: 176.27892000
Formula: C8 H16 O2 S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1922  ethyl 3-(ethylthio)butyrate
FEMA Number: 4572 ethyl 3-(ethylthio)butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):90201-28-8 ; ETHYL 3-(ETHYLTHIO)BUTYRATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98100 to 0.98700 @  20.00 °C.
Pounds per Gallon - (est).: 8.172 to  8.222
Refractive Index: 1.45400 to 1.46000 @  20.00 °C.
Boiling Point: 230.00 to  233.00 °C. @ 760.00 mm Hg
Boiling Point: 50.00 to  52.00 °C. @ 2.00 mm Hg
Vapor Pressure: 0.055000 mmHg @ 25.00 °C. (est)
Flash Point: 203.00 °F. TCC ( 95.00 °C. )
logP (o/w): 2.450 (est)
Soluble in:
 alcohol
 water, 564.3 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor Type: metallic
 
 metallic  fruity  
Odor Description:
at 0.10 % in propylene glycol. 
metallic fruity
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Parchem
ethyl 3-(ethyl thio) butyrate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for ethyl 3-(ethyl thio) butyrate 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: 0.300001.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.030000.10000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.003000.01000
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: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3021670
National Institute of Allergy and Infectious Diseases: Data
 ethyl 3-ethylsulfanylbutanoate
Chemidplus: 0090201288
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References:
 ethyl 3-ethylsulfanylbutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3021670
Pubchem (sid): 135196333
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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): Search
ChemSpider: View
FAO: Ethyl 3-(ethylthio)butyrate
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 butanoic acid, 3-(ethylthio)-, ethyl ester
 ethyl 3-(ethyl thio) butanoate
 ethyl 3-(ethylsulfanyl)butanoate
 ethyl 3-(ethylthio) butanoate
 ethyl 3-(ethylthio) butyrate
 ethyl 3-(ethylthio)butanoate
 ethyl 3-(ethylthio)butyrate
 ethyl 3-ethylsulfanylbutanoate
3-(ethyl thio)-butanoic acid ethyl ester
3-(ethylthio)-butanoic acid ethyl ester
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