methyl 4-(methyl thio) butyrate
methyl 4-(methylthio)butyrate
 
Notes:
Flavouring ingredient
  • Bedoukian Research
  • BOC Sciences
    • BOC Sciences
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      Product(s):
      53053-51-3 methyl 4-(methylthio)butyrate
       
  • Penta International
  • Synerzine
    • Synerzine, Inc.
      Innovation. Customization. Aroma Ingredients.
      Synerzine is a leading supplier of flavor and fragrance ingredients.
      Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust.
      Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster.
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      Product(s):
      W1431 Methyl 4-(methylthio) Butyrate (10% in triacitin)
       
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
      Innovative ingredient solutions
      World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries.
      We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products.
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      Product(s):
      Methyl 4-methylthiobutyrate
       
Synonyms   Articles   Notes   Search
CAS Number: 53053-51-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 258-328-7
FDA UNII: 36I1Z35638
Nikkaji Web: J295.868F
MDL: MFCD00009849
CoE Number: 11526
XlogP3: 1.40 (est)
Molecular Weight: 148.22504000
Formula: C6 H12 O2 S
NMR Predictor: Predict (works with chrome 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: 474  methyl 4-(methylthio)butyrate
DG SANTE Food Flavourings: 12.060  methyl 4-(methylthio)butyrate
FEMA Number: 3412 methyl 4-(methylthio)butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):53053-51-3 ; METHYL 4-(METHYLTHIO)BUTYRATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 110.00 °C. @ 20.00 mm Hg
Boiling Point: 52.00 °C. @ 3.00 mm Hg
Vapor Pressure: 0.311000 mmHg @ 25.00 °C. (est)
Vapor Density: >1 ( Air = 1 )
Flash Point: 185.00 °F. TCC ( 85.00 °C. )
logP (o/w): 1.225 (est)
Soluble in:
 alcohol
 water, 4534 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: sulfurous
 
Odor Strength: high ,
recommend smelling in a 0.10 % solution or less
 
Substantivity: 196 hour(s) at 100.00 %
 
 sulfurous  cabbage  fruity  pineapple  cheesy  
Odor Description:
at 0.10 % in propylene glycol. 
sulfury cabbage fruity pineapple cheese
Luebke, William tgsc, (1996)
 
 
Flavor Type: sulfurous
 
 sulfurous  garlic  onion green onion  chive  green  cheesy  
Taste Description:
sulfurous garlic green onion chive green cheesy
Luebke, William tgsc, (1996)
 
Odor and/or flavor descriptions from others (if found).
 
Bedoukian Research
METHYL 4-(METHYLTHIO)BUTYRATE (10% IN TRIACETIN) Kosher
Odor Description: An oniony, garlic, sweet pineapple, cheesy odor
Taste Description: garlic
Used in garlic, onion, pineapple, wine and citrus flavors.
 
 
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
METHYL 4-(METHYLTHIO)BUTYRATE (10% IN TRIACETIN)
Kosher
Odor: An oniony, garlic, sweet pineapple, cheesy odor
Flavor: garlic
Used in garlic, onion, pineapple, wine and citrus flavors.
BOC Sciences
For experimental / research use only.
methyl 4-(methylthio)butyrate
Penta International
METHYL 4-(METHYLTHIO)BUTYRATE 10% SOLUTION IN TRIACETIN
Penta International
METHYL 4-(METHYLTHIO)BUTYRATE PURE
R C Treatt & Co Ltd
Methyl 4-methylthiobutyrate
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 4-(methylthio)butyrate 96%
Synerzine
Methyl 4-(methylthio) Butyrate (10% in triacitin)
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Safety Information:
Preferred SDS: View
 
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
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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: --
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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
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
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References:
 methyl 4-methylsulfanylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 53053-51-3
Pubchem (cid): 65425
Pubchem (sid): 135022070
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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
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Potential Blenders and core components note
 
For Odor
alliaceous
alliaceous
 allium sativum oil egyptFL/FR
 dibutyl sulfideFL/FR
 garlic oilFL/FR
 garlic oil chinaFL/FR
 garlic oil mexicoFL/FR
 methyl furfuryl disulfideFL/FR
coffee
 coffee difuranFL/FR
fermented
 ethyl (E)-2-crotonateFL/FR
fruity
 allyl cyclohexyl butyrateFL/FR
 allyl sorbateFL/FR
(E,E)-allyl sorbateFL/FR
 cyclohexyl hexanoateFL/FR
 ethyl 3-methyl valerateFL/FR
 methyl 4-methyl valerateFL/FR
2-nonanoneFL/FR
 prenyl hexanoateFL/FR
isopropyl isovalerateFL/FR
 ferula assa-foetida gumFL/FR
green
(E)-2-hexenalFL/FR
spicy
 ethyl vinyl ketoneFL/FR
 ethyl 2-mercaptopropionateFL/FR
 ethyl methyl mercaptopropionateFL/FR
 ferula assa-foetida absoluteFL/FR
 ferula assa-foetida gum extractFL/FR
 furfuryl thioacetateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
2-(methyl thio) phenolFL/FR
4-tropical oxathianeFL/FR
 
For Flavor
 
No flavor group found for these
 allyl cyclohexyl butyrateFL/FR
 allyl methyl trisulfideFL
 allyl propyl trisulfideFL
(E,E)-allyl sorbateFL/FR
 allyl sorbateFL/FR
 cyclohexyl hexanoateFL/FR
 diallyl hexasulfideFL
 diethyl trisulfideFL
 dipropyl sulfideFL
 ethyl 3-methyl valerateFL/FR
 mercaptoacetaldehydeFL
S-methyl benzothioateFL
 methyl butyl sulfideFL
2-(methyl thio) methyl-2-butenalFL
 prenyl hexanoateFL/FR
isopropyl disulfideFL
isopropyl isovalerateFL/FR
 tetrahydrothiopheneFL
alliaceous
 allium sativum oil egyptFL/FR
 allyl disulfideFL
 allyl mercaptanFL
 allyl thiopropionateFL
 benzyl mercaptanFL
1,3-butane dithiolFL
 cyclopentyl mercaptanFL
 dipropyl trisulfideFL
 garlic oilFL/FR
 garlic oil chinaFL/FR
 garlic oil extendersFL
 garlic oil mexicoFL/FR
smoked garlic oleoresinFL
fried garlic oleoresinFL
2-methyl thioacetaldehydeFL
3-tetrahydrothiophenoneFL
 truffle sulfideFL
cheesy
2-nonanoneFL/FR
coffee
 coffee difuranFL/FR
 methyl furfuryl disulfideFL/FR
 methyl furfuryl thiolFL
fatty
 dimethyl sulfoxideFL
fruity
 methionyl butyrateFL
 methyl 4-methyl valerateFL/FR
4-tropical oxathianeFL/FR
garlic
 allium sativum bulb tinctureFL
 allyl methyl sulfideFL
 ferula assa-foetida gumFL/FR
 garlic distillatesFL
 garlic flavorFL
black garlic flavorFL
sauteed garlic flavorFL
 garlic oil CO2 extractFL
 garlic oleoresinFL
2-pentenyl-4-propyl-1,3-oxathiane (mixture of isomers)FL
green
 dibutyl sulfideFL/FR
(E)-2-hexenalFL/FR
meaty
(R,S)-2-mercapto-3-butanolFL
2-(methyl thio) phenolFL/FR
bis(2-methyl-3-furyl) disulfideFL
 pyrazinyl ethane thiolFL
ortho-thiocresolFL
mushroom
 methional diethyl acetalFL
musty
 ethyl (E)-2-crotonateFL/FR
2-methyl 5-(methyl thio) furanFL/FR
onion
 ethyl 2-mercaptopropionateFL/FR
 furfuryl isopropyl sulfideFL
 methionolFL
 methyl propyl disulfideFL
 methyl propyl trisulfideFL
 propyl thioacetateFL
roasted
 ethyl 3-(furfuryl thio) propionateFL
 furfuryl thioacetateFL/FR
seafood
1,4-dithianeFL
spicy
 ethyl vinyl ketoneFL/FR
sulfurous
 allium sativum bulb extractFL
 allyl sulfideFL
 butyl mercaptanFL
 diallyl polysulfidesFL
 diallyl tetrasulfideFL
 diallyl trisulfideFL
 ethyl methyl mercaptopropionateFL/FR
 ethyl methyl sulfideFL
S-ethyl thioacetateFL
 ferula assa-foetida absoluteFL/FR
 ferula assa-foetida fluid extractFL
 ferula assa-foetida gum extractFL/FR
 ferula assa-foetida oleoresinFL
 furfuryl methyl sulfideFL
 furfuryl thiopropionateFL
3-mercapto-2-methyl pentanalFL
 methyl benzyl disulfideFL
 
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Potential Uses:
 cheeseFL
 citrusFL
 dairyFL
 fruit tropical fruitFL
 garlicFL
 meatFL
 onionFL
 pineappleFL
 wineFL
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Occurrence (nature, food, other): note
 ananas comosus fruit
Search Trop  Picture
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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
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Articles:
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