3-(methyl thio) propyl mercaptoacetate

General Material Information

Preferred name	3-(methyl thio) propyl mercaptoacetate
Trivial Name	3-(methylsulfanyl)propyl sulfanylacetate
Short Description	3-(methylthio)propyl mercaptoacetate
Formula	C6 H12 O2 S2
CAS Number	852997-30-9
FEMA Number	4561
FDA UNII	3RI9Z9IR02
Nikkaji Number	J3.152.030D
MDL	MFCD19440668
xLogP3-AA	1.40 (est)
NMR Predictor	External link
JECFA Food Flavoring	1914 3-(methylthio)propyl mercaptoacetate
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	852997-30-9 ; 3-(METHYLTHIO)PROPYL MERCAPTOACETATE
Synonyms	acetic acid, 2-mercapto-, 3-(methylthio)propyl ester mercaptoacetic acid 3-(methyl thio) propyl ester mercaptoacetic acid 3-(methylthio)propyl ester 3-( methyl sulfanyl) propyl sulfanyl acetate 3-( methylsulfanyl)propyl sulfanylacetate 3-( methylthio) propyl mercaptoacetate 3-( methylthio)propyl mercaptoacetate 3-methylthiopropyl mercapto acetate 3-methylthiopropyl mercaptoacetate

(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:	2930.90.9999
ChemSpider:	View
FAO:	3-(Methylthio)propyl mercaptoacetate

Carbosynth	Endeavour Specialty Chemicals
Penta International	R C Treatt & Co Ltd
Robinson Brothers	Endeavour Specialty Chemicals Ltd
Penta International Corporation	Robinson Brothers Limited
R C Treatt and Co Ltd

Material listed in food chemical codex	No
Molecular weight	180.2900390625
Specific gravity	@ 20 °C
Pounds per Gallon	9.664 to 9.714
Refractive Index	1.515 to 1.521 @ 20 °C
Boiling Point	109 to 111°C @ 760 mm Hg
Acid Value	1 max KOH/g
Vapor Pressure	0.003 mmHg @ 25 °C
Flash Point TCC Value	126 °C TCC
logP (o/w)	1.775 est
Solubility
alcohol	Yes
water, 3599 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Radish
radish, nutty, meaty, fatty, lettuce, creamy
General comment	At 0.10 % in propylene glycol. radish nutty meaty fatty salad creamy
Flavor Type: Radish
radish
General comment	Radish


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 3-(methyl thio) propyl mercaptoacetate 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:		1.00000	5.00000
beverages(nonalcoholic):		1.00000	10.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		1.00000	10.00000
jams / jellies:		-	-
meat products:		-	-
milk products:		1.00000	10.00000
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 :46779104

National Institute of Allergy and Infectious Diseases:Data

3-(methylsulfanyl)propyl sulfanylacetate

Chemidplus:0852997309