ethyl 4-(methyl thio) butyrate
ethyl 4-(methylthio)butyrate
 
Notes:
Flavouring agent
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      Product(s):
      22014-48-8 ethyl 4-(methylthio)butyrate
       
  • CSA
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CAS Number: 22014-48-8Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 244-720-5
FDA UNII: W0F51T4V09
Nikkaji Web: J225.515D
XlogP3-AA: 1.40 (est)
Molecular Weight: 162.25198000
Formula: C7 H14 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
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 477  ethyl 4-(methylthio)butyrate
DG SANTE Food Flavourings: 12.084  ethyl 4-(methylthio)butyrate
FEMA Number: 3681 ethyl 4-(methylthio)butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):22014-48-8 ; ETHYL 4-(METHYLTHIO) BUTYRATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.99500 to 1.04600 @  20.00 °C.
Pounds per Gallon - (est).: 8.289 to  8.714
Refractive Index: 1.45900 @  23.00 °C.
Boiling Point: 95.00 °C. @ 15.00 mm Hg
Vapor Pressure: 0.108000 mmHg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.56 °C. )
logP (o/w): 1.734 (est)
Soluble in:
 fats
 water
 water, 1494 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Description:
at 0.10 % in propylene glycol. 
sulfury
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Axsyn
For experimental / research use only.
Butanoic acid,4-(methylthio)-, ethyl ester
BOC Sciences
For experimental / research use only.
ethyl 4-(methylthio)butyrate
Parchem
ethyl 4-(methyl thio) butyrate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: flavoring agents
Recommendation for ethyl 4-(methyl thio) butyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): ND (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: 13
Click here to view publication 13
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -0.20000
beverages(alcoholic): -0.20000
breakfast cereal: --
cheese: --
chewing gum: -0.20000
condiments / relishes: --
confectionery froastings: -0.20000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -0.20000
granulated sugar: --
gravies: --
hard candy: -0.20000
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: --
soft candy: -0.20000
soups: --
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
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5463935
National Institute of Allergy and Infectious Diseases: Data
 ethyl 4-methylsulfanylbutanoate
Chemidplus: 0022014488
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References:
 ethyl 4-methylsulfanylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 22014-48-8
Pubchem (cid): 5463935
Pubchem (sid): 135345297
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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): HMDB37620
FooDB: FDB016734
Export Tariff Code: 2915.60.0000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
FAO: Ethyl 4-(methylthio)butyrate
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Potential Blenders and core components note
 
For Odor
caramellic
caramellic
 maltyl isobutyrateFL/FR
ethereal
isovaleraldehyde propylene glycol acetalFL/FR
floral
 citronellyl acetateFL/FR
 phenethyl acetateFL/FR
isoamyl propionateFL/FR
 geranyl methyl tiglate 
 propyl isobutyrateFL/FR
 tropical indeneFR
 tropical iononeFL/FR
 tropical thiazoleFL/FR
green
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
1-penten-3-olFL/FR
herbal
 viridiflorolFL/FR
sulfurous
 blackberry thiophenoneFL/FR
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 ethyl 2-mercaptopropionateFL/FR
 passiflora acetateFL/FR
3-thiohexanolFL/FR
tropical
 tropical 3-thiobutyrateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl 3-methyl thiopropionateFL
 blackberry thiophenoneFL/FR
 ethyl 2-(methyl dithio) propionateFL
 ethyl 3-octenoateFL
 ethyl mercaptanFL
 viridiflorolFL/FR
alliaceous
 tropical thiazoleFL/FR
citrus
3-mercaptoheptyl acetateFL
floral
 citronellyl acetateFL/FR
 tropical iononeFL/FR
fruity
isoamyl propionateFL/FR
 geranyl methyl tiglate 
 propyl isobutyrateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
green
 cassis pentanoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 heptanal dimethyl acetalFL/FR
1-penten-3-olFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
onion
 ethyl 2-mercaptopropionateFL/FR
sulfurous
 buchu mercaptanFL/FR
S-ethyl thioacetateFL
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
3-thiohexanolFL/FR
 tropical 3-thiobutyrateFL/FR
tropical
 passiflora acetateFL/FR
vegetable
2-octen-4-oneFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 pineapple fruit
Search Trop  Picture
 potato chip
Search  PMC Picture
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Synonyms:
 butanoic acid, 4-(methylthio)-, ethyl ester
 butyric acid, 4-(methylthio)-, ethyl ester
 ethyl 4-(methyl thio) butanoate
 ethyl 4-(methylsulfanyl)butanoate
 ethyl 4-(methylthio) butyrate
 ethyl 4-(methylthio)butanoate
 ethyl 4-(methylthio)butyrate
 ethyl 4-methylsulfanylbutanoate
4-(methyl thio) butanoic acid ethyl ester
4-(methyl thio) butyric acid ethyl ester
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