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thioacetic acid
General Material Information
| Preferred name | thioacetic acid |
| Trivial Name | Thioacetic acid |
| Short Description | ethanethioic S-acid |
| Formula | C2 H4 O S |
| CAS Number | 507-09-5 |
| FEMA Number | 4210 |
| ECHA Number | 208-063-8 |
| FDA UNII | PS92MLC0FQ |
| Nikkaji Number | J35.909B |
| Beilstein Number | 1733298 |
| MDL | MFCD00004853 |
| xLogP3-AA | 0.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1676 thioacetic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 507-09-5 ; THIOACETIC ACID |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| ethanethioic S-acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 507-09-5 |
| Pubchem (cid): | 10484 |
| Pubchem (sid): | 134976660 |
| Pherobase: | View |
| Publications by US Patents | |
| 3,931,270 - Process for producing 2-thia substituted 1,4 diones | |
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 |
Suppliers
| Anhui Suzhou Jinli Aromatic Chemicals | Penta International |
| Santa Cruz Biotechnology | Sigma-Aldrich |
| TCI AMERICA | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 76.11808013916 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.87 to 8.92 |
| Refractive Index | 1.459 to 1.465 @ 20 °C |
| Vapor Pressure | 50.41 mmHg @ 25 °C |
| Flash Point TCC Value | 11.11 °C TCC |
| logP (o/w) | 0.528 est |
| Solubility | |
| propylene glycol | Yes |
| water | Yes |
| acetone | Yes |
| water, 1.016e+005 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Meaty | |
| cooked, roasted, meaty, burnt | |
| General comment | At 0.01 % in propylene glycol. cooked roasted meaty burnt |
Safety Information
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 (05.3): | - | - | |
| 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 |