We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

S-tropical 2-thiobutyrate

Chemical Structure

General Material Information

Preferred name S-tropical 2-thiobutyrate
Trivial Name S-Methyl 2-methylbutanethioate
Short Description S-methyl 2-methylbutanethioate
Formula C6 H12 O S
CAS Number 42075-45-6
FEMA Number 3708
Flavis Number 12.086
ECHA Number 255-648-9
FDA UNII 251520LC0C
Nikkaji Number J278.323A
xLogP3-AA 2.10 (est)
NMR Predictor External link
JECFA Food Flavoring 486 S-methyl 2-methylbutanethioate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 42075-45-6 ; METHYL 2-METHYLTHIOBUTYRATE
Synonyms
  • butanethioic acid, 2-methyl-, S-methyl ester
  • S- methy-2-methyl thiobutyrate
  • S- methyl (2-methyl)thiobutyrate
  • S- methyl 2-(methyl thio) butyrate
  • S- methyl 2-(methylthio) butyrate
  • S- methyl 2-methyl (thiobutyrate)
  • S- methyl 2-methyl butane thioate
  • S- methyl 2-methyl butanethioate
  • S- methyl 2-methyl(thiobutyrate)
  • S- methyl 2-methylbutanethioate
  • S- methyl 2-methylthiobutyrate
  • 2-methyl butane thioic acid S-methyl ester
  • 2-methyl butanethioic acid S-methyl ester
  • S- methyl thio 2-methyl butyrate
  • 2-methyl-1-methyl sulfanyl butan-1-one
  • S- methyl-2-methyl thiobutyrate
  • S- methylthio 2-methyl butyrate
  • S- methylthio 2-methylbutyrate
  • S- methylthiol 2-methylbutyrate
  • S-methyl 2-methylbutanethioate
  • 2-Methyl-1-(methylsulfanyl)butan-1-one

US / EU / FDA / JECFA / FEMA / Scholar / Patents

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:S-Methyl 2-methylbutanethioate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 132.22584533691
Boiling Point 153 to 158°C @ 760 mm Hg
Vapor Pressure 2.672 mmHg @ 25 °C
Vapor Density 4.6
Flash Point TCC Value 42.78 °C TCC
logP (o/w) 2.232 est
Solubility
alcohol Yes
fats Yes
water, 3701 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, sweet, cabbage, tropical, fruity
General comment At 0.10 % in propylene glycol. sulfury sweet cabbage tropical brussel sprouts fruity

Occurrences

Safety Information

Safety information

European information :
Most important hazard(s):
Xi - Irritant
R 10 - Flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for S-tropical 2-thiobutyrate usage levels up to:
0.1000 % 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: 13
Click here to view publication 13
average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): --
beverages(alcoholic): -0.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: -0.30000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.30000
fruit ices: --
gelatins / puddings: -0.50000
granulated sugar: --
gravies: --
hard candy: -0.50000
imitation dairy: -0.30000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: -0.30000
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 :65285
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3272
WGK Germany:3
S-methyl 2-methylbutanethioate
Chemidplus:0042075456