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

ethyl 2-mercapto-2-methyl propionate
ethyl 2-mercapto-2-methylpropionate

Supplier Sponsors

Name:ethyl 2-methyl-2-sulfanylpropanoate
CAS Number: 33441-50-8Picture of molecule3D/inchi
FDA UNII: OMU1N2F20B
MDL:MFCD07636747
XlogP3-AA:1.40 (est)
Molecular Weight:148.22504000
Formula:C6 H12 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
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Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:2085 ethyl 2-mercapto-2-methylpropionate
DG SANTE Food Flavourings:12.304 ethyl 2-mercapto-2-methylpropionate
FEMA Number:4714 ethyl 2-mercapto-2-methylpropionate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):33441-50-8 ; ETHYL 2-MERCAPTO-2-METHYLPROPIONATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96100 to 0.10810 @ 25.00 °C.
Pounds per Gallon - (est).: 7.996 to 0.900
Refractive Index:1.42450 to 1.46450 @ 20.00 °C.
Boiling Point: 186.00 to 187.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.673000 mmHg @ 25.00 °C. (est)
Flash Point: 149.00 °F. TCC ( 65.30 °C. ) (est)
logP (o/w): 1.899 (est)
Soluble in:
 alcohol
 water, 2844 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Description:meaty fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Ethyl 2-mercapto-2-methylpropionate
Carbosynth
For experimental / research use only.
Ethyl 2-mercapto-2-methylpropionate
Santa Cruz Biotechnology
For experimental / research use only.
Ethyl 2-Mercapto-2-methylpropionate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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 ethyl 2-mercapto-2-methyl propionate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 110 (μg/person/day)
Threshold of Concern:90 (μg/person/day)
Structure Class: III
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: 25
Click here to view publication 25
 average usual ppmaverage maximum ppm
baked goods: 0.100000.50000
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): 0.100000.50000
breakfast cereal: 0.100000.50000
cheese: --
chewing gum: 0.100000.50000
condiments / relishes: --
confectionery froastings: 0.100000.50000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100000.50000
fruit ices: 0.100000.50000
gelatins / puddings: --
granulated sugar: --
gravies: 0.100000.50000
hard candy: 0.100000.50000
imitation dairy: --
instant coffee / tea: 0.100000.50000
jams / jellies: 0.100000.50000
meat products: --
milk products: 0.100000.50000
nut products: --
other grains: --
poultry: --
processed fruits: 0.100000.50000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.100000.50000
snack foods: --
soft candy: 0.100000.50000
soups: 0.100000.50000
sugar substitutes: --
sweet sauces: 0.100000.50000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.200001.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): --
Edible ices, including sherbet and sorbet (03.0): 0.100000.50000
Processed fruit (04.1): 0.200001.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200001.00000
Confectionery (05.0): 0.300001.50000
Chewing gum (05.3): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.100000.50000
Bakery wares (07.0): 0.100000.50000
Meat and meat products, including poultry and game (08.0): --
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): --
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.400002.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.100000.50000
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.100000.50000
 
Safety References:
European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 91, Revision 3 (FGE.91Rev3): consideration of aliphatic, aromatic and a,ß-unsaturated sulfides and thiols evaluated by JECFA (53rd, 61st, 68th and 76th meetings), structurally related to substances in FGE.08Rev5
View page or View pdf

EPI System: View
AIDS Citations:Search
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EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :14181802
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-methyl-2-sulfanylpropanoate
Chemidplus:0033441508
 
References:
 ethyl 2-methyl-2-sulfanylpropanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):14181802
Pubchem (sid):126598575
 
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
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 ethyl 2-mercapto-2-methylpropanoate
 ethyl 2-mercapto-2-methylpropionate
 ethyl 2-methyl-2-mercaptopropionate
 ethyl 2-methyl-2-sulfanylpropanoate
2-mercapto-2-methyl-propanoic acid ethyl ester
2-mercapto-2-methylpropanoic acid ethyl ester
 propanoic acid, 2-mercapto-2-ethyl-, ethyl ester
 
 
Notes:
None found
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