EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

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

Supplier Sponsors

Name:ethyl 4-methylsulfanylbutanoate
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, Edge 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
 
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)
 
Organoleptic Properties:
Odor Description:at 0.10 % in propylene glycol. sulfury
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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 Chemical Sources Association
 
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 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: --
 
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
 
References:
 ethyl 4-methylsulfanylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:22014-48-8
Pubchem (cid):5463935
Pubchem (sid):135345297
 
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
 
Potential Blenders and core components note
For Odor
caramellic
maltyl isobutyrate
FL/FR
ethereal
iso
valeraldehyde propylene glycol acetal
FL/FR
floral
citronellyl acetate
FL/FR
phenethyl acetate
FL/FR
fruity
iso
amyl propionate
FL/FR
propyl isobutyrate
FL/FR
tropical indene
FR
tropical ionone
FL/FR
tropical thiazole
FL/FR
green
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
1-
penten-3-ol
FL/FR
herbal
viridiflorol
FL/FR
sulfurous
blackberry thiophenone
FL/FR
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
ethyl 2-mercaptopropionate
FL/FR
passiflora acetate
FL/FR
3-
thiohexanol
FL/FR
tropical
tropical 3-thiobutyrate
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
iso
amyl 3-methyl thiopropionate
FL
blackberry thiophenone
FL/FR
ethyl 2-(methyl dithio) propionate
FL
ethyl 3-octenoate
FL
ethyl mercaptan
FL
viridiflorol
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
citrus
3-
mercaptoheptyl acetate
FL
floral
citronellyl acetate
FL/FR
tropical ionone
FL/FR
fruity
iso
amyl propionate
FL/FR
propyl isobutyrate
FL/FR
iso
valeraldehyde propylene glycol acetal
FL/FR
green
cassis pentanone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
heptanal dimethyl acetal
FL/FR
1-
penten-3-ol
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
onion
ethyl 2-mercaptopropionate
FL/FR
sulfurous
buchu mercaptan
FL/FR
S-
ethyl thioacetate
FL
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
3-
thiohexanol
FL/FR
tropical 3-thiobutyrate
FL/FR
tropical
passiflora acetate
FL/FR
vegetable
2-
octen-4-one
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 pineapple fruit
Search Trop Picture
 potato chip
Search PMC Picture
 
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
 
 
Notes:
Flavouring agent
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