ethyl 3-(ethyl thio) butyrate

General Material Information

Preferred name	ethyl 3-(ethyl thio) butyrate
Trivial Name	Butanoic acid, 3-(ethylthio)-, ethyl ester
Short Description	ethyl 3-(ethylthio)butyrate
Formula	C8 H16 O2 S
CAS Number	90201-28-8
FEMA Number	4572
ECHA Number	290-671-8
FDA UNII	GTO77Z933P
Nikkaji Number	J318.977E
xLogP3-AA	1.90 (est)
NMR Predictor	External link
JECFA Food Flavoring	1922 ethyl 3-(ethylthio)butyrate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	90201-28-8 ; ETHYL 3-(ETHYLTHIO)BUTYRATE
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 Butyric acid, 3-(ethylthio)-, ethyl ester

(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

Material listed in food chemical codex	No
Molecular weight	176.27891540527
Specific gravity	@ 20 °C
Pounds per Gallon	8.172 to 8.222
Refractive Index	1.454 to 1.46 @ 20 °C
Boiling Point	230 to 233°C @ 760 mm Hg
Boiling Point	50 to 52°C @ 2 mm Hg
Vapor Pressure	0.055 mmHg @ 25 °C
Flash Point TCC Value	95 °C TCC
logP (o/w)	2.45 est
Solubility
alcohol	Yes
water, 564.3 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Metallic
metallic, fruity
General comment	At 0.10 % in propylene glycol. metallic fruity


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

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 ppm	average maximum ppm
baked goods:		0.30000	1.00000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		0.03000	0.10000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		0.00300	0.01000
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:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :3021670

National Institute of Allergy and Infectious Diseases:Data

ethyl 3-ethylsulfanylbutanoate

Chemidplus:0090201288