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methyl thioisobutyrate
methyl isobutanethioate

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Name:S-methyl 2-methylpropanethioate
CAS Number: 42075-42-3Picture of molecule3D/inchi
Nikkaji Web:J596.600K
XlogP3-AA:1.70 (est)
Molecular Weight:118.19890000
Formula:C5 H10 O 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
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1937 methyl isobutanethioate
FEMA Number:4586 methyl isobutanethioate
FDA:No longer provide for the use of these seven synthetic flavoring substances
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.96100 to 0.96700 @ 20.00 °C.
Pounds per Gallon - (est).: 8.006 to 8.056
Refractive Index:1.45500 to 1.46100 @ 20.00 °C.
Boiling Point: 133.00 to 134.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 70.00 to 72.00 °C. @ 100.00 mm Hg
Vapor Pressure:8.259000 mmHg @ 25.00 °C. (est)
Flash Point: 87.00 °F. TCC ( 30.56 °C. )
logP (o/w): 1.604 (est)
Soluble in:
 water, 1.099e+004 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Description:Used in beverages at 0.1 to 0.5ppm; in snack foods and confectionery; and in chewing gum at 0.2-2ppm fruity
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
For experimental / research use only.
S-Methyl 2-methylpropanethiolate
DeLong Chemicals America
Methyl isobutanethioate
Endeavour Specialty Chemicals
S-Methyl 2-methylpropanethiolate 98% F&F
Speciality Chemical Product Groups
Penta International
R C Treatt & Co Ltd
S-Methyl isothiobutyrate
Halal, Kosher
Odor: Sulphurous, fruity
Flavor: fruity
Used in beverages at 0.1 to 0.5ppm; in snack foods and confectionery; and in chewing gum at 0.2-2ppm max.
Robinson Brothers
S-Methyl 2-methylpropanethiolate F&F
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
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:
flavoring agents
Recommendation for methyl thioisobutyrate 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 ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): 0.100000.50000
breakfast cereal: --
cheese: --
chewing gum: 0.200002.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: 0.030000.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.200001.00000
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: 0.030000.50000
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :537722
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
S-methyl 2-methylpropanethioate
 S-methyl 2-methylpropanethioate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):537722
Pubchem (sid):103814503
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
Export Tariff Code:2930.90.9999
FAO:Methyl isobutanethioate
Potential Blenders and core components note
None Found
Potential Uses:
 chewing gum
Occurrence (nature, food, other):note
 not found in nature
S-methyl 2-methyl propane thioate
S-methyl 2-methylpropanethioate
S-methyl 2-methylpropanethiolate
 methyl isobutane thioate
 methyl isobutanethioate
 methyl isothiobutyrate
2-methyl propane thioic acid S-methyl ester
2-methylpropanethioic acid S-methyl ester
 propanethioic acid, 2-methyl-, S-methyl ester
None found
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