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thioacetic acid
ethanethioic S-acid

Supplier Sponsors

Name:ethanethioic S-acid
CAS Number: 507-09-5Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-063-8
FDA UNII:PS92MLC0FQ
Nikkaji Web:J35.909B
Beilstein Number:1733298
MDL:MFCD00004853
XlogP3-AA:0.30 (est)
Molecular Weight:76.11808000
Formula:C2 H4 O S
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Substance no longer supported by Industry (EFSA, 2011ai).
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:1676 thioacetic acid
FEMA Number:4210 thioacetic acid
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: THIOACETIC ACID
 
Physical Properties:
Appearance:pale yellow green clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:1.06600 to 1.07200 @ 25.00 °C.
Pounds per Gallon - (est).: 8.870 to 8.920
Refractive Index:1.45900 to 1.46500 @ 20.00 °C.
Boiling Point: 88.00 °C. @ 760.00 mm Hg
Vapor Pressure:50.410000 mm/Hg @ 25.00 °C. (est)
Flash Point: 52.00 °F. TCC ( 11.11 °C. )
logP (o/w): 0.528 (est)
Soluble in:
 propylene glycol
 water
 acetone
 water, 1.016e+005 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Type: meaty
Odor Strength:high ,
recommend smelling in a 0.01 % solution or less
cooked roasted meaty burnt
Odor Description:at 0.01 % in propylene glycol. cooked roasted meaty burnt
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Anhui Suzhou Jinli Aromatic Chemicals
Thioacetic Acid
Odor: Sauced, meat, burnt
Blue Marble Biomaterials
THIOACETIC ACID ≥95%
Odor: Cooked, roasted, meaty
Penta International
THIOACETIC ACID
Santa Cruz Biotechnology
For experimental / research use only.
Thioacetic Acid 96%
Sigma-Aldrich
Thioacetic acid, 96%
Certified Food Grade Products
TCI AMERICA
For experimental / research use only.
Thioacetic Acid >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 11 - Highly flammable.
R 34 - Causes burns.
S 01/02 - Keep locked up and out of the reach of children.
S 09 - Keep container in a well-ventilated place.
S 16 - Keep away from sources of ignition - No Smoking.
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 27 - Take off immediately all contaminated clothing.
S 28 - After contact with skin, wash immediately with plenty of water.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.
S 45 - In case of accident or if you feel unwell seek medical advice immediately.
 
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:
oral-rat LD50 > 200 mg/kg

intraperitoneal-mouse LD50 75 mg/kg
National Technical Information Service. Vol. AD691-490

Dermal Toxicity:
skin-rat LD50 > 2000 mg/kg
National Technical Information Service. Vol. AD691-490

Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for thioacetic acid usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 160 (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: 22
 average usual ppmaverage maximum ppm
baked goods: 1.000005.00000
beverages(nonalcoholic): 0.100000.50000
beverages(alcoholic): 0.100000.50000
breakfast cereal: 0.500002.50000
cheese: 1.000005.00000
chewing gum: --
condiments / relishes: 0.200001.00000
confectionery froastings: 0.100000.50000
egg products: 1.000008.00000
fats / oils: 3.000008.00000
fish products: 1.000005.00000
frozen dairy: 0.200001.00000
fruit ices: 0.200001.00000
gelatins / puddings: 0.200001.00000
granulated sugar: --
gravies: 0.100000.50000
hard candy: 0.200001.00000
imitation dairy: 0.500002.50000
instant coffee / tea: 0.100000.50000
jams / jellies: 0.100000.50000
meat products: 1.000005.00000
milk products: 0.500002.50000
nut products: 0.100000.50000
other grains: --
poultry: 1.000008.00000
processed fruits: 0.200001.00000
processed vegetables: 0.200001.00000
reconstituted vegetables: 0.100000.50000
seasonings / flavors: 1.000008.00000
snack foods: 1.000005.00000
soft candy: 0.200001.00000
soups: 0.200002.00000
sugar substitutes: --
sweet sauces: 0.200001.00000
 
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): 0.400002.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 0.200001.00000
Edible ices, including sherbet and sorbet (03.0): 0.400002.00000
Processed fruit (04.1): 0.300001.50000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 0.400002.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 0.200001.00000
Bakery wares (07.0): 0.400002.00000
Meat and meat products, including poultry and game (08.0): 0.100000.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 0.100000.40000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 0.200001.00000
Foodstuffs intended for particular nutritional uses (13.0): 0.400002.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 0.200001.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 0.400002.00000
Ready-to-eat savouries (15.0): 1.000005.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 0.200001.00000
 
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 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

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

Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009)
View page or View pdf

Flavouring Group Evaluation 08 Rev2 (FGE.08 Rev2): 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

Scientific Opinion on Flavouring Group Evaluation 08, Revision 5 (FGE.08Rev5): 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
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):507-09-5
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10484
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 2436
WGK Germany:3
ethanethioic S-acid
Chemidplus:0000507095
EPA/NOAA CAMEO:hazardous materials
RTECS:AJ5600000 for cas# 507-09-5
 
References:
 ethanethioic S-acid
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:507-09-5
Pubchem (cid):10484
Pubchem (sid):134976660
Pherobase:View
 
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
CHEBI:View
KEGG (GenomeNet):C01857
HMDB (The Human Metabolome Database):HMDB31188
FooDB:FDB003208
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry:View
 
Potential Blenders and core components note
For Odor
burnt
rum ether
FL/FR
fruity
tropical trithiane
FL/FR
nutty
2-
methyl-3-(methyl thio) pyrazine
FL/FR
For Flavor
No flavor group found for these
4-
acetyl-2-methyl pyrimidine
FL
1,2-
butane dithiol
FL
3,6-
diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture 1% in vegetable oil triglyceri
FL
(Z+E)-2,5-
dimethyl-3-tetrahydrofuran thiol
FL
(Z+E)-2,5-
dimethyl-3-thioacetoxytetrahydrofuran
FL
2,5-
dimethyl-3-thiofuroyl furan
FL
3-(
ethyl thio) butanol
FL
2-
ethyl-3-methyl thiopyrazine
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-butyl) thiazoline
FL
(Z+E)-5-
ethyl-4-methyl-2-(2-methyl propyl) thiazoline
FL
1-(3-
hydroxy-5-methyl-2-thienyl) ethanone
FL
methyl dihydrofuran thiol
FL
2-
methyl-3-(methyl thio) pyrazine
FL/FR
3-((2-
methyl-3-furyl)thio)-4-heptanone
FL
4-((2-
methyl-3-furyl)thio)-5-nonanone
FL
3-iso
propenyl pentane dioic acid
FL
3,7-
dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide
FL
(±)-3-(
methyl thio) heptanal
FL
3-(
methyl thio) methyl thiophene
FL
2-
methyl-1-methyl thio-2-butene
FL
pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine
FL
burnt
burnt
1,6-
hexane dithiol
FL
rum ether
FL/FR
fruity
tropical trithiane
FL/FR
meaty
4-
allyl-2,6-dimethoxyphenol
FL
2,6-
dimethyl thiophenol
FL
1,1-
ethane dithiol 1% in ethanol 94.5% / ethyl acetate 4%
FL
methyl thiofuryl butanal
FL
bis(2-
methyl-3-furyl) disulfide
FL
S-(2-
methyl-3-furyl) ethane thioate
FL
2-
methyl-3-tetrahydrofuran thiol
FL
2-
methyl-3-thioacetoxytetrahydrofuran
FL
propyl 2-mercaptopropionate
FL
2-
pyridinyl methane thiol
FL
thialdine
FL
nutty
2-
butyl-2-butenal
FL
phenolic
2-
ethyl benzene thiol
FL
popcorn
2-
propionyl-2-thiazoline
FL
sulfurous
2-
naphthyl mercaptan
FL
roasted butanol
FL
2,4,6-
trithiaheptane 10% in triacetin
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetothioic acid
 acetyl mercaptan
 ethane thioic acid
 ethanethioic S-acid
 schiff's reagent
 thioacetic S-acid
 thiol acetic acid
 thionoacetic acid
 
 
Notes:
Used as a food additive [EAFUS]
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