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S-ethyl thioacetate
S-ethyl acetothioate

Sponsors

Name:S-ethyl ethanethioate
CAS Number: 625-60-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:210-904-9
FDA UNII:6E715F929W
Nikkaji Web:J135.424H
MDL:MFCD00015178
CoE Number:11665
XlogP3-AA:1.00 (est)
Molecular Weight:104.17196000
Formula:C4 H8 O 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:483 ethyl thioacetate
FLAVIS Number:12.018 (Old)
DG SANTE Food Flavourings:12.018 S-ethyl acetothioate
FEMA Number:3282 ethyl thioacetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: ETHYL THIOACETATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97900 to 0.98300 @ 20.00 °C.
Pounds per Gallon - (est).: 8.156 to 8.189
Refractive Index:1.45700 to 1.46100 @ 20.00 °C.
Boiling Point: 116.00 to 117.00 °C. @ 760.00 mm Hg
Vapor Pressure:18.250000 mm/Hg @ 25.00 °C. (est)
Vapor Density:3.5 ( Air = 1 )
Flash Point: 65.00 °F. TCC ( 18.33 °C. )
logP (o/w): 1.369 (est)
Soluble in:
 alcohol
 oils
 water, slightly
 water, 2.786e+004 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 fruity onion garlic meaty coffee
Odor Description:at 0.10 % in propylene glycol. sulfury fruity onion garlic meaty coffee
sulfurous fruity onion garlic meaty
Odor Description:Sulfuraceous, fruity, onion / garlic with meaty nuances
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
Flavor Type: sulfurous
sulfurous onion garlic sweet fruity
Taste Description: at 10.00 ppm. Sulfuraceous, onion / garlic with a sweet fruity aftertaste
Mosciano, Gerard P&F 16, No. 2, 49, (1991)
Odor and/or flavor descriptions from others (if found).
Sigma-Aldrich
Ethyl thioacetate, ≥98%
Odor Description:coffee; alliaceous (onion, garlic)
Taste Description:sulfury onion garlic sweet fruity
Blue Marble Biomaterials
ETHYL THIOACETATE ≥95%
Odor Description:Sulfuraceous, fruity, onion, garlic with meaty nuances
 
Cosmetic Information:
None found
 
Suppliers:
Beijing Lys Chemicals
Ethyl thioacetate
Blue Marble Biomaterials
ETHYL THIOACETATE ≥95%
Odor: Sulfuraceous, fruity, onion, garlic with meaty nuances
BOC Sciences
For experimental / research use only.
Ethyl Thioacetate
Carbosynth
For experimental / research use only.
S-Ethyl Thioacetate
Charkit Chemical
ETHYL THIOACETATE FEMA 3282
DeLong Chemicals America
Ethyl thioacetate, Kosher
Endeavour Specialty Chemicals
S-Ethyl thioacetate 99% F&F
Speciality Chemical Product Groups
H. Interdonati, Inc.
Ethyl thioacetate Kosher
Featured Products
Jinan Enlighten Chemical Technology(Wutong Aroma )
S-Ethyl Thioacetate Kosherk
M&U International
ETHYL THIOACETATE, Kosher
Penta International
ETHYL THIOACETATE, Kosher
Robinson Brothers
S-Ethyl thioacetate F&F
https://www.robinsonbrothers.uk/chemistry-competences
Sigma-Aldrich
Ethyl thioacetate, ≥98%
Odor: coffee; alliaceous (onion, garlic)
Certified Food Grade Products
Sunaux International
S-Ethyl Thioacetate
Synerzine
Ethyl Thioacetate
TCI AMERICA
For experimental / research use only.
S-Ethyl Thioacetate >98.0%(GC)
Tengzhou Jitian Aroma Chemiclal
S-Ethyl Thioacetate
Treatt
Ethyl thioacetate
Halal, Kosher
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 11 - Highly flammable.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 07/09 - Keep container tightly closed and in well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
S 23 - Do not breath vapour.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
 
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 S-ethyl thioacetate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Adequate NOAEL exists: Yes
NOEL (No Observed Effect Level): 6.5 (mg/kg bw per 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: 5
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: -1.00000
cheese: --
chewing gum: -1.00000
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -1.00000
fruit ices: -1.00000
gelatins / puddings: -1.00000
granulated sugar: --
gravies: -1.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
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
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):625-60-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61171
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1993
WGK Germany:3
S-ethyl ethanethioate
Chemidplus:0000625605
 
References:
 S-ethyl ethanethioate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:625-60-5
Pubchem (cid):61171
Pubchem (sid):135018308
 
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):HMDB31190
FooDB:FDB003210
Export Tariff Code:2930.90.9190
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Ethyl thioacetate
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
methyl furfuryl disulfide
FL/FR
anisic
ethyl para-anisate
FL/FR
caramellic
maple furanone
FL/FR
shoyu furanone
FL/FR
chemical
iso
butyl formate
FL/FR
propyl propionate
FL/FR
citrus
2-
ethyl-1-hexanol
FL/FR
ethereal
ethyl acetate
FL/FR
iso
propyl formate
FL/FR
fermented
ethyl (E)-2-crotonate
FL/FR
floral
acetophenone
FL/FR
benzyl isobutyrate
FL/FR
citronellyl anthranilate
FL/FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
terpinyl valerate
FL/FR
fruity
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
diethyl laevo-tartrate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl lactate
FL/FR
ethyl propionate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
2-
hexen-1-ol
FL/FR
linalyl isobutyrate
FL/FR
menthyl isovalerate
FL/FR
methyl anthranilate
FL/FR
methyl heptanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
propyl hexanoate
FL/FR
iso
propyl octanoate
FL/FR
sorbyl butyrate
FL/FR
strawberry glycidate 2
FL/FR
tropical ionone
FL/FR
vanilla carboxylate
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
2-
octen-1-ol
FL/FR
(E)-2-
octen-1-ol
FL/FR
honey
methyl hydrocinnamate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
spicy
ethyl vinyl ketone
FL/FR
(E)-
propyl 2-furan acrylate
FL/FR
sulfurous
blackberry thiophenone
FL/FR
ethyl 2-mercaptopropionate
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
2-(
methyl thio) phenol
FL/FR
3-
thiohexanol
FL/FR
4-
tropical oxathiane
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl decanoate
FL/FR
ethyl octanoate
FL/FR
For Flavor
No flavor group found for these
allyl methyl trisulfide
FL
allyl propyl trisulfide
FL
iso
amyl 3-methyl thiopropionate
FL
2-
amyl-5 or 6-keto-1,4-dioxane
FL
blackberry thiophenone
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl trisulfide
FL
dimethyl tetrasulfide
FL
dipropyl sulfide
FL
ethyl 2-(methyl dithio) propionate
FL
ethyl 2-methyl-2-(methyl thio) propionate
FL
ethyl aconitate
FL
ethyl mercaptan
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
methyl butyl sulfide
FL
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
S-
prenyl thioisobutyrate
FL
S-
prenyl thioisovalerate
FL
allyl thiohexanoate
FL
3-
mercapto-3-methyl-1-butyl acetate
FL
acidic
acidic
(E)-2-
hexenoic acid
FL
alliaceous
allyl disulfide
FL
allyl mercaptan
FL
allyl thiopropionate
FL
benzyl mercaptan
FL
1,3-
butane dithiol
FL
cyclopentyl mercaptan
FL
3-
mercapto-2-pentanone
FL
2-
methyl thioacetaldehyde
FL
3-
tetrahydrothiophenone
FL
truffle sulfide
FL
anise
ethyl para-anisate
FL/FR
caramellic
maple furanone
FL/FR
shoyu furanone
FL/FR
citrus
3-
mercaptoheptyl acetate
FL
coffee
methyl furfuryl disulfide
FL/FR
ethereal
ethyl acetate
FL/FR
fatty
2-
ethyl-1-hexanol
FL/FR
2-
octen-1-ol
FL/FR
(E)-2-
octen-1-ol
FL/FR
floral
linalyl isobutyrate
FL/FR
rose oil (rosa damascena) russia
FL/FR
rose oil (rosa damascena) turkey
FL/FR
tropical ionone
FL/FR
fruity
benzyl isobutyrate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
citronellyl anthranilate
FL/FR
ethyl 3-(2-furyl) propanoate
FL/FR
ethyl 3-hydroxyhexanoate
FL/FR
ethyl benzoyl acetate
FL/FR
ethyl butyrate
FL/FR
ethyl isovalerate
FL/FR
ethyl lactate
FL/FR
ethyl propionate
FL/FR
(E,E)-
ethyl sorbate
FL/FR
2-
furyl pentyl ketone
FL
2-
hexen-1-ol
FL/FR
menthyl isovalerate
FL/FR
3-
mercaptohexyl hexanoate
FL
methionyl butyrate
FL
methyl anthranilate
FL/FR
methyl heptanoate
FL/FR
(E,E)-
methyl sorbate
FL
(E)-
propyl 2-furan acrylate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl butyrate
FL/FR
iso
propyl formate
FL/FR
propyl hexanoate
FL/FR
iso
propyl octanoate
FL/FR
sorbyl butyrate
FL/FR
strawberry glycidate 2
FL/FR
terpinyl valerate
FL/FR
4-
tropical oxathiane
FL/FR
vanilla carboxylate
FL/FR
garlic
allyl methyl sulfide
FL
garlic oleoresin
FL
green
benzaldehyde dimethyl acetal
FL/FR
dibutyl sulfide
FL/FR
(E)-2-
heptenal
FL
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
meaty
3-
mercapto-2-butanone
FL
(R,S)-2-
mercapto-3-butanol
FL
2-(
methyl thio) phenol
FL/FR
bis(2-
methyl-3-furyl) disulfide
FL
ortho-
thiocresol
FL
musty
ethyl (E)-2-crotonate
FL/FR
2-
methyl 5-(methyl thio) furan
FL/FR
nutty
nutty thiazole
FL
onion
ethyl 2-mercaptopropionate
FL/FR
methionol
FL
methyl propyl disulfide
FL
methyl propyl trisulfide
FL
propyl thioacetate
FL
powdery
acetophenone
FL/FR
roasted
ethyl 3-(furfuryl thio) propionate
FL
rummy
iso
butyl formate
FL/FR
seafood
1,4-
dithiane
FL
spicy
ethyl vinyl ketone
FL/FR
sulfurous
allyl sulfide
FL
butyl mercaptan
FL
diallyl polysulfides
FL
diallyl tetrasulfide
FL
ethyl methyl mercaptopropionate
FL/FR
ferula assa-foetida absolute
FL/FR
furfuryl methyl sulfide
FL
furfuryl thiopropionate
FL
3-
mercapto-2-methyl pentanal
FL
3-
mercapto-2-methyl-1-butanol
FL
methyl 2-(methyl thio) butyrate
FL
methyl 4-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
caramelized
onion oleoresin
FL
3-
thiohexanol
FL/FR
tropical
propyl propionate
FL/FR
vegetable
1-
furfuryl pyrrole
FL/FR
waxy
allyl nonanoate
FL/FR
ethyl decanoate
FL/FR
ethyl octanoate
FL/FR
 
Potential Uses:
FLcabbage
FLcoffee
FLgarlic
FLgrape
FLmango
FLmeat
FLonion
FLvegetable
 
Occurrence (nature, food, other):note
 beer
Search PMC Picture
 coffee
Search PMC Picture
 durian fruit
Search Trop Picture
 wine red wine
Search Picture
 wine white wine
Search Picture
 
Synonyms:
 acetic acid thioethyl ester
 acetic acid, thio-, ethyl ester
 acetic acid, thio-, S-ethyl ester
 ethane thioic acid S-ethyl ester
 ethanethioic acid ethyl ester
 ethanethioic acid S-ethyl ester
 ethanethioic acid, ethyl ester
 ethanethioic acid, S-ethyl ester
S-ethyl acetothioate
S-ethyl ethane thioate
 ethyl ethanethioate
S-ethyl ethanethioate
S-(ethyl thio) acetate
 ethyl thioacetate natural
S-ethyl thiolacetate
 thioacetic acid S-ethyl ester
 
 
Notes:
Flavouring ingredient
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