EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

3-(methyl thio) propyl mercaptoacetate
3-(methylthio)propyl mercaptoacetate

Supplier Sponsors

Name:3-(methylsulfanyl)propyl sulfanylacetate
CAS Number: 852997-30-9Picture of molecule3D/inchi
FDA UNII:3RI9Z9IR02
Nikkaji Web:J3.152.030D
MDL:MFCD19440668
XlogP3-AA:1.40 (est)
Molecular Weight:180.29004000
Formula:C6 H12 O2 S2
NMR Predictor:Predict (works with chrome 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
JECFA Food Flavoring:1914 3-(methylthio)propyl mercaptoacetate
FEMA Number:4561 3-(methylthio)propyl mercaptoacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 3-(METHYLTHIO)PROPYL MERCAPTOACETATE
 
Physical Properties:
Appearance:colorless to yellow clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.16000 to 1.16600 @ 20.00 °C.
Pounds per Gallon - (est).: 9.664 to 9.714
Refractive Index:1.51500 to 1.52100 @ 20.00 °C.
Boiling Point: 109.00 to 111.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.003000 mm/Hg @ 25.00 °C. (est)
Flash Point: 259.00 °F. TCC ( 126.00 °C. ) (est)
logP (o/w): 1.775 (est)
Soluble in:
 alcohol
 water, 3599 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: radish
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
radish nutty meaty fatty lettuce creamy
Odor Description:at 0.10 % in propylene glycol. radish nutty meaty fatty salad creamy
Flavor Type: radish
radish
Taste Description: radish
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Carbosynth
For experimental / research use only.
3-(Methylthio)propyl mercaptoacetate
Endeavour Specialty Chemicals
3-(Methylthio)propyl mercaptoacetate 98% F&F
Speciality Chemical Product Groups
Penta International
3-METHYLTHIOPROPYL MERCAPTO ACETATE, Kosher
R C Treatt & Co Ltd
3-(Methylthio) propyl mercaptoacetate
Kosher
Odor: Radish, nutty; meaty, fatty; salad cream
Flavor: radish
Used in baked goods, at 1-5ppm; in non-alcoholic beverages including instant tea and coffee and milk products, at 1-10ppm.
Robinson Brothers
3-(Methylthio)propyl mercaptoacetate F&F
https://www.robinsonbrothers.uk/chemistry-competences
 
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
 
Safety in Use Information:
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
 average usual ppmaverage maximum ppm
baked goods: 1.000005.00000
beverages(nonalcoholic): 1.0000010.00000
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: 1.0000010.00000
jams / jellies: --
meat products: --
milk products: 1.0000010.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
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
 
References:
 3-(methylsulfanyl)propyl sulfanylacetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):46779104
Pubchem (sid):163642722
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2930.90.9999
ChemSpider:View
FAO:3-(Methylthio)propyl mercaptoacetate
 
Potential Blenders and core components note
For Odor
meaty
4-
methyl nonanoic acid
FL/FR
nutty
2-
methyl-3-(methyl thio) pyrazine
FL/FR
For Flavor
No flavor group found for these
amyl mercaptan
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
2-
methyl-2-thiazoline
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
thiazole
FL
burnt
burnt
bacon dithiazine
FL
1,6-
hexane dithiol
FL
fatty
4-
methyl nonanoic acid
FL/FR
nutty
3-
acetyl-2,5-dimethyl thiophene
FL
3,5-
diethyl-2-methyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
popcorn
2-
propionyl-2-thiazoline
FL
 
Potential Uses:
FLbeverage
 coffee
 milk products
FLtea
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

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