Articles:
| US Patents: | 3,931,270 - Process for producing 2-thia substituted 1,4 diones |
ethanethioic S-acid
Notes:
Used as a food additive [EAFUS]
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 20-28100 THIOACETIC ACID
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W421001 Thioacetic acid, 96% SDS
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): T0189 Thioacetic Acid >95.0%(GC)
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| CAS Number: | 507-09-5 |  3D/inchi
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| 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 (SATF): | 507-09-5 ; 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 mmHg @ 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 | |
| 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 |
| 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 | |||
| Click here to view publication 22 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 1.00000 | 5.00000 | |
| beverages(nonalcoholic): | 0.10000 | 0.50000 | |
| beverages(alcoholic): | 0.10000 | 0.50000 | |
| breakfast cereal: | 0.50000 | 2.50000 | |
| cheese: | 1.00000 | 5.00000 | |
| chewing gum: | - | - | |
| condiments / relishes: | 0.20000 | 1.00000 | |
| confectionery froastings: | 0.10000 | 0.50000 | |
| egg products: | 1.00000 | 8.00000 | |
| fats / oils: | 3.00000 | 8.00000 | |
| fish products: | 1.00000 | 5.00000 | |
| frozen dairy: | 0.20000 | 1.00000 | |
| fruit ices: | 0.20000 | 1.00000 | |
| gelatins / puddings: | 0.20000 | 1.00000 | |
| granulated sugar: | - | - | |
| gravies: | 0.10000 | 0.50000 | |
| hard candy: | 0.20000 | 1.00000 | |
| imitation dairy: | 0.50000 | 2.50000 | |
| instant coffee / tea: | 0.10000 | 0.50000 | |
| jams / jellies: | 0.10000 | 0.50000 | |
| meat products: | 1.00000 | 5.00000 | |
| milk products: | 0.50000 | 2.50000 | |
| nut products: | 0.10000 | 0.50000 | |
| other grains: | - | - | |
| poultry: | 1.00000 | 8.00000 | |
| processed fruits: | 0.20000 | 1.00000 | |
| processed vegetables: | 0.20000 | 1.00000 | |
| reconstituted vegetables: | 0.10000 | 0.50000 | |
| seasonings / flavors: | 1.00000 | 8.00000 | |
| snack foods: | 1.00000 | 5.00000 | |
| soft candy: | 0.20000 | 1.00000 | |
| soups: | 0.20000 | 2.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | 0.20000 | 1.00000 | |
| 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/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 0.40000 | 2.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 0.20000 | 1.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 0.40000 | 2.00000 | |
| Processed fruit (04.1): | 0.30000 | 1.50000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 0.40000 | 2.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 0.20000 | 1.00000 | |
| Bakery wares (07.0): | 0.40000 | 2.00000 | |
| Meat and meat products, including poultry and game (08.0): | 0.10000 | 0.40000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 0.10000 | 0.40000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 0.20000 | 1.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 0.40000 | 2.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 0.20000 | 1.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 0.40000 | 2.00000 | |
| Ready-to-eat savouries (15.0): | 1.00000 | 5.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 0.20000 | 1.00000 | |
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 |
| AIDS Citations: | Search |
| 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 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 |
| CHEBI: | View |
| KEGG (GenomeNet): | C01857 |
| HMDB (The Human Metabolome Database): | HMDB31188 |
| FooDB: | FDB003208 |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
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 |