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methyl 4-(methyl thio) butyrate

Chemical Structure

General Material Information

Preferred name methyl 4-(methyl thio) butyrate
Trivial Name Methyl 4-(methylthio)butanoate
Short Description methyl 4-(methylthio)butyrate
Formula C6 H12 O2 S
CAS Number 53053-51-3
FEMA Number 3412
Flavis Number 12.06
ECHA Number 258-328-7
FDA UNII 36I1Z35638
Nikkaji Number J295.868F
MDL MFCD00009849
COE Number 11526
NMR Predictor External link
JECFA Food Flavoring 474 methyl 4-(methylthio)butyrate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 53053-51-3 ; METHYL 4-(METHYLTHIO)BUTYRATE
Synonyms
  • butanoic acid, 4-(methylthio)-, methyl ester
  • methyl 4-(methyl mercapto) butyrate
  • methyl 4-(methyl thio) butanoate
  • methyl 4-(methylmercapto)butyrate
  • methyl 4-(methylsulfanyl)butanoate
  • methyl 4-(methylthio) butyrate
  • methyl 4-(methylthio)butanoate
  • methyl 4-(methylthio)butyrate
  • methyl 4-(methylthio)butyrate (10% in triacetin)
  • methyl 4-(methylthio)butyrate 10% solution in triacetin
  • methyl 4-(methylthio)butyrate pure
  • methyl 4-methylsulfanylbutanoate
  • methyl 4-methylthiobutyrate
  • methyl gamma-(methyl thio) butyrate
  • methyl gamma-methyl mercaptobutyrate
  • methyl gamma-methyl thiobutyrate
  • 4-( methylthio)butyric acid methyl ester

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

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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):HMDB37619
FooDB:FDB016733
Export Tariff Code:2930.90.9165
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Methyl 4-(methylthio)butyrate

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 148.22503662109
Vapor Pressure 0.311 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 85 °C TCC
logP (o/w) 1.225 est
Solubility
alcohol Yes
water, 4534 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Sulfurous
sulfurous, cabbage, fruity, pineapple, cheesy
Odor strength high , recommend smelling in a 0.10 % solution or less
Substantivity 196 hour(s) at 100.00 %
Luebke, William tgsc, (1996) At 0.10 % in propylene glycol. sulfury cabbage fruity pineapple cheese
Flavor Type: Sulfurous
sulfurous, garlic, onion green onion, chive, green, cheesy
Luebke, William tgsc, (1996) Sulfurous garlic green onion chive green cheesy
Used in garlic, onion, pineapple, wine and citrus flavors. Garlic

Occurrences

Potential Uses

Applications
Flavoring purposes Cheese, Citrus, Dairy, Fruit tropical fruit, Garlic, Meat, Onion, Pineapple, Wine

Safety Information

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 methyl 4-(methyl thio) butyrate usage levels up to:
not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Structure Class: I
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: 7
Click here to view publication 7
average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): --
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: -10.00000
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -10.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -10.00000
sugar substitutes: --
sweet sauces: --

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):

Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20
View page or View pdf

Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): 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 8, Revision 3 (FGE.08Rev3): 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 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

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 :65425
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3334
WGK Germany:3
methyl 4-methylsulfanylbutanoate
Chemidplus:0053053513