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

(±)-ethyl 3-mercapto-2-methyl butanoate
ethyl 2-methyl-3-sulfanylbutanoate

Supplier Sponsors

Fragrance Demo Formulas
Flavor Demo Formulas
Name:ethyl 2-methyl-3-sulfanylbutanoate
CAS Number: 888021-82-7Picture of molecule3D/inchi
FDA UNII:VH5CF6RF6Q
XlogP3-AA:1.70 (est)
Molecular Weight:162.25198000
Formula:C7 H14 O2 S
NMR Predictor:Predict (works with chrome or firefox)
Category:flavor and fragrance 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:1928 (+/-)-ethyl 3-mercapto-2-methylbutanoate
FEMA Number:4392 (+/-)-ethyl 3-mercapto-2-methylbutanoate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):888021-82-7 ; (+-)-ETHYL 3-MERCAPTO-2-METHYLBUTANOATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.00470 to 1.00570 @ 25.00 °C.
Pounds per Gallon - (est).: 8.360 to 8.368
Refractive Index:1.45400 to 1.45500 @ 20.00 °C.
Boiling Point: 203.00 to 207.00 °C. @ 760.00 mm Hg
Boiling Point: 40.00 to 41.00 °C. @ 1.00 mm Hg
Vapor Pressure:0.271000 mmHg @ 25.00 °C. (est)
Flash Point: 172.00 °F. TCC ( 77.78 °C. ) (est)
logP (o/w): 2.100 (est)
Soluble in:
 alcohol
 water, 1006 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
Odor Description:at 0.10 % in dipropylene glycol. fruity
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
(±)-Ethyl 3-mercapto-2-methyl Butanoate
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:
flavor and fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for (±)-ethyl 3-mercapto-2-methyl butanoate usage levels up to:
  0.2000 % in the fragrance concentrate.
 
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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 0.200001.00000
beverages(nonalcoholic): 0.100001.00000
beverages(alcoholic): 0.200002.00000
breakfast cereal: 0.200001.00000
cheese: --
chewing gum: --
condiments / relishes: 0.100000.30000
confectionery froastings: 0.100000.30000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.100000.50000
fruit ices: --
gelatins / puddings: 0.100000.40000
granulated sugar: 0.200001.00000
gravies: --
hard candy: 0.200002.00000
imitation dairy: 0.200001.00000
instant coffee / tea: 0.200001.00000
jams / jellies: --
meat products: --
milk products: 0.100000.30000
nut products: --
other grains: 0.200001.00000
poultry: --
processed fruits: --
processed vegetables: 0.100000.30000
reconstituted vegetables: --
seasonings / flavors: 20.00000200.00000
snack foods: 0.100000.50000
soft candy: 0.100000.30000
soups: --
sugar substitutes: 0.200002.00000
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :20656016
National Institute of Allergy and Infectious Diseases:Data
ethyl 2-methyl-3-sulfanylbutanoate
Chemidplus:0888021827
 
References:
 ethyl 2-methyl-3-sulfanylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):20656016
Pubchem (sid):135319120
 
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
FooDB:FDB009397
ChemSpider:View
FAO:(+/-)-Ethyl 3-mercapto-2-methylbutanoate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid, 3-mercapto-2-methyl-, ethyl ester
 ethyl 2-methyl-3-sulfanylbutanoate
(+/-)-ethyl 3-mercapto-2-methylbutanoate
(±)-ethyl 3-mercapto-2-methylbutanoate
 ethyl 3-mercapto-2-methylbutanoate, (+/-)-
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy