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methyl 4-(methyl thio) butyrate
methyl 4-(methylthio)butyrate

Supplier Sponsors

Name:methyl 4-methylsulfanylbutanoate
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
FLAVIS Number:12.060 (Old)
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
 
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)
 
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)
Odor sample from: Sigma-Aldrich
Flavor Type: sulfurous
sulfurous garlic onion green onion chive green cheesy
Taste Description: sulfurous garlic green onion chive green cheesy
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.
 
Cosmetic Information:
None found
 
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
Endeavour Specialty Chemicals
Methyl 4-(methylthio)butyrate 99% F&F
Speciality Chemical Product Groups
Penta International
METHYL 4-(METHYLTHIO)BUTYRATE 10% SOLUTION IN TRIACETIN, Kosher
Penta International
METHYL 4-(METHYLTHIO)BUTYRATE PURE, Kosher
R C Treatt & Co Ltd
Methyl 4-methylthiobutyrate
Robinson Brothers
Methyl 4-(methylthio)butyrate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Santa Cruz Biotechnology
For experimental / research use only.
Methyl 4-(methylthio)butyrate 96%
Synerzine
Methyl 4-(methylthio) Butyrate (10% in triacitin)
 
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
 
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
 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
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
 
References:
 methyl 4-methylsulfanylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:53053-51-3
Pubchem (cid):65425
Pubchem (sid):135022070
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (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
 
Potential Blenders and core components note
For Odor
alliaceous
allium sativum oil egypt
FL/FR
dibutyl sulfide
FL/FR
garlic oil
FL/FR
garlic oil china
FL/FR
garlic oil mexico
FL/FR
methyl furfuryl disulfide
FL/FR
coffee
coffee difuran
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
fruity
allyl cyclohexyl butyrate
FL/FR
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
cyclohexyl hexanoate
FL/FR
ethyl 3-methyl valerate
FL/FR
methyl 4-methyl valerate
FL/FR
2-
nonanone
FL/FR
prenyl hexanoate
FL/FR
iso
propyl isovalerate
FL/FR
garlic
ferula assa-foetida gum
FL/FR
green
(E)-2-
hexenal
FL/FR
spicy
ethyl vinyl ketone
FL/FR
sulfurous
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
ferula assa-foetida gum extract
FL/FR
furfuryl thioacetate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-(
methyl thio) phenol
FL/FR
4-
tropical oxathiane
FL/FR
For Flavor
No flavor group found for these
allyl cyclohexyl butyrate
FL/FR
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
(E,E)-
allyl sorbate
FL/FR
allyl sorbate
FL/FR
cyclohexyl hexanoate
FL/FR
diallyl hexasulfide
FL
diethyl trisulfide
FL
dipropyl sulfide
FL
ethyl 3-methyl valerate
FL/FR
mercaptoacetaldehyde
FL
S-
methyl benzothioate
FL
methyl butyl sulfide
FL
2-(
methyl thio) methyl-2-butenal
FL
prenyl hexanoate
FL/FR
iso
propyl disulfide
FL
iso
propyl isovalerate
FL/FR
tetrahydrothiophene
FL
alliaceous
alliaceous
allium sativum oil egypt
FL/FR
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
dipropyl trisulfide
FL
garlic oil
FL/FR
garlic oil china
FL/FR
garlic oil extenders
FL
garlic oil mexico
FL/FR
fried
garlic oleoresin
FL
smoked
garlic oleoresin
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
cheesy
2-
nonanone
FL/FR
coffee
coffee difuran
FL/FR
methyl furfuryl disulfide
FL/FR
methyl furfuryl thiol
FL
fatty
dimethyl sulfoxide
FL
fruity
methionyl butyrate
FL
methyl 4-methyl valerate
FL/FR
4-
tropical oxathiane
FL/FR
garlic
allium sativum bulb tincture
FL
allyl methyl sulfide
FL
ferula assa-foetida gum
FL/FR
garlic distillates
FL
sauteed
garlic flavor
FL
garlic flavor
FL
black
garlic flavor
FL
garlic oil CO2 extract
FL
garlic oleoresin
FL
2-
pentenyl-4-propyl-1,3-oxathiane (mixture of isomers)
FL
green
dibutyl sulfide
FL/FR
(E)-2-
hexenal
FL/FR
meaty
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
pyrazinyl ethane thiol
FL
ortho-
thiocresol
FL
mushroom
methional diethyl acetal
FL
musty
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
furfuryl isopropyl sulfide
FL
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
roasted
ethyl 3-(furfuryl thio) propionate
FL
furfuryl thioacetate
FL/FR
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allium sativum bulb extract
FL
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
diallyl trisulfide
FL
ethyl methyl mercaptopropionate
FL/FR
ethyl methyl sulfide
FL
S-
ethyl thioacetate
FL
ferula assa-foetida absolute
FL/FR
ferula assa-foetida fluid extract
FL
ferula assa-foetida gum extract
FL/FR
ferula assa-foetida oleoresin
FL
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
methyl benzyl disulfide
FL
 
Potential Uses:
FLcheese
FLcitrus
FLdairy
FLfruit tropical fruit
FLgarlic
FLmeat
FLonion
FLpineapple
FLwine
 
Occurrence (nature, food, other):note
 ananas comosus fruit
Search Trop Picture
 
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
 

Articles:

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Notes:
Flavouring ingredient
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