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

ethyl 4-(acetyl thio) butyrate
ethyl 4-(acetylthio)butyrate

Supplier Sponsors

Name:ethyl 4-acetylsulfanylbutanoate
CAS Number: 104228-51-5Picture of molecule3D/inchi
FDA UNII:9579R62878
XlogP3-AA:1.20 (est)
Molecular Weight:190.26218000
Formula:C8 H14 O3 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:1295 ethyl 4-(acetylthio)butyrate
FLAVIS Number:12.257 (Old)
DG SANTE Food Flavourings:12.257 ethyl 4-(acetylthio) butyrate
FEMA Number:3974 ethyl 4-(acetylthio)butyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ETHYL 4-(ACETYLTHIO)BUTYRATE
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.07300 to 1.08300 @ 20.00 °C.
Pounds per Gallon - (est).: 8.939 to 9.022
Refractive Index:1.46800 to 1.47200 @ 20.00 °C.
Boiling Point: 262.00 °C. @ 760.00 mm Hg
Acid Value: 2.00 max. KOH/g
Vapor Pressure:0.014000 mm/Hg @ 25.00 °C. (est)
Flash Point: 232.00 °F. TCC ( 111.00 °C. ) (est)
logP (o/w): 1.671 (est)
Soluble in:
 alcohol
 water, 4300 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: sulfurous
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
sulfurous meaty
Odor Description:at 0.10 % in propylene glycol. sulfury meaty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Butanoic acid,4-(acetylthio)-, ethyl ester
Parchem
ethyl 4-(acetyl 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-(acetyl thio) butyrate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 4.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 348 (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 20
 average usual ppmaverage maximum ppm
baked goods: 5.0000010.00000
beverages(nonalcoholic): 2.000004.00000
beverages(alcoholic): 2.000004.00000
breakfast cereal: --
cheese: --
chewing gum: 4.000008.00000
condiments / relishes: 2.000004.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 3.000006.00000
fruit ices: 3.000006.00000
gelatins / puddings: 3.000006.00000
granulated sugar: 15.0000030.00000
gravies: --
hard candy: 2.000004.00000
imitation dairy: 3.000006.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 2.000004.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 2.000004.00000
soft candy: 3.000006.00000
soups: 3.000006.00000
sugar substitutes: --
sweet sauces: --
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 0.600002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.040001.00000
Edible ices, including sherbet and sorbet (03.0): 0.500002.00000
Processed fruit (04.1): --
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): 0.200001.50000
Confectionery (05.0): 0.750002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.620001.00000
Bakery wares (07.0): 0.800002.00000
Meat and meat products, including poultry and game (08.0): 0.730001.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100001.00000
Eggs and egg products (10.0): 0.080001.00000
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.450001.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.500001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.100002.00000
Ready-to-eat savouries (15.0): 1.100005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): --
 
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 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 1 (FGE.74Rev1): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 2 (FGE.74Rev2): Consideration of Simple Aliphatic Sulphides and Thiols evaluated by the JECFA (53rd and 61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08Rev3 (2011)
View page or View pdf

EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 74, Revision 4 (FGE.74Rev4): Consideration of aliphatic sulphides and thiols evaluated by JECFA (53rd and 61st meeting) structurally related to aliphatic and alicyclic mono-, di-, tri- and polysulphides with or without additional oxygenated functional groups from chemical group 20 evaluated by EFSA in FGE.08Rev5
View page or View pdf

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :54048924
National Institute of Allergy and Infectious Diseases:Data
ethyl 4-acetylsulfanylbutanoate
Chemidplus:0104228515
 
References:
 ethyl 4-acetylsulfanylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):54048924
Pubchem (sid):135312548
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB32259
FooDB:FDB009372
ChemSpider:View
 
Potential Blenders and core components note
For Odor
sulfurous
2-
mercaptopropionic acid
FL/FR
For Flavor
No flavor group found for these
iso
propyl disulfide
FL
alliaceous
alliaceous
1,3-
butane dithiol
FL
earthy
difurfuryl sulfide
FL
eggy
iso
propyl mercaptan
FL
meaty
2-
mercaptopropionic acid
FL/FR
S-(2-
methyl-3-furyl) ethane thioate
FL
nutty
nutty thiazole
FL
roasted
hexyl mercaptan
FL
sulfurous
roasted butanol
FL
 
Potential Uses:
FLmeat
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid, 4-(acetylthio)-, ethyl ester
 ethyl 4-(acetyl thio) butanoate
 ethyl 4-(acetylsulfanyl)butanoate
 ethyl 4-(acetylthio) butanoate
 ethyl 4-(acetylthio) butyrate
 ethyl 4-(acetylthio)butanoate
 ethyl 4-(acetylthio)butyrate
 ethyl 4-(acetylthio)butyrate
 ethyl 4-acetylsulfanylbutanoate
 ethyl4-(acetylthio)butyrate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy