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thioacetic acid
Thioacetic acid is a sulfur-containing compound known for its meaty odor, used primarily as a flavoring agent in various food applications.
General Material Description
Thioacetic acid is an organosulfur compound with the molecular formula C2H4OS. It belongs to the class of thiol acids, with a distinctive meaty and cooked roasted odor at low concentrations. Known also by synonymous names such as acetothioic acid and ethanethioic S-acid, it features a characteristic sulfur atom replacing the oxygen in acetic acid’s carboxyl group. The compound appears as a clear liquid and can be sourced by synthesis or as a derivative from related sulfur-containing precursors. Thioacetic acid’s chemical properties and uses are well-documented in ChEBI. Its sensory profile and physicochemical behavior support its role in specialized flavoring applications requiring meaty and cooked aroma notes.
Occurrence, Applicability & Potential Uses
Thioacetic acid occurs predominantly via synthetic production rather than natural biological pathways. It is utilized mainly as a flavoring agent to impart meaty, roasted, and burnt aroma characteristics at trace levels in foods. Its incorporation follows safety assessments and usage standards outlined by FEMA (US) flavoring regulations, ensuring controlled exposure in food products. The compound finds application in baked goods, meat products, dairy, sauces, and various processed foods. Its inclusion enhances flavor complexity, particularly in savory profiles, reflecting its relevance in flavor formulation and food chemistry. Usage levels are carefully defined to align with safety evaluations and regulatory limits for human consumption.
Physico-Chemical Properties Summary
Thioacetic acid exhibits a relatively low molecular weight of approximately 76 g/mol, with a specific gravity range of 1.066 to 1.072 at 25 °C, indicating it is denser than water. It possesses moderate volatility reflected by a vapor pressure near 50 mmHg at ambient temperature. The compound’s log P value near 0.5 (estimated) shows slight lipophilicity suitable for blending in various matrices. Its refractive index between 1.459 and 1.465 at 20 °C aligns with clear liquid characteristics. Thioacetic acid is soluble in water, propylene glycol, and acetone, enabling ease of formulation in hydrophilic or mixed solvent systems. The flash point, approximately 11 °C (52 °F), denotes flammability considerations essential in handling and storage. These physicochemical traits influence its application scope and handling requirements in product development.
FAQ
What is thioacetic acid and what are its primary characteristics?
Thioacetic acid is an organosulfur compound structurally similar to acetic acid but containing a sulfur atom in place of oxygen in the acid group. It has a molecular formula of C2H4OS and is recognized for a distinctive meaty and cooked roasted odor when diluted. The compound appears as a clear liquid and is used mainly in the flavor industry to impart savory notes. It is also known by numerous synonyms such as acetothioic acid and ethanethioic S-acid.
How is thioacetic acid used and where can it be found?
Thioacetic acid is primarily employed as a flavoring agent in the food industry, contributing meaty and roasted aroma features to products such as baked goods, meat, dairy, and sauces. It is predominantly a synthetic product rather than one occurring naturally. Usage is carefully regulated, and the compound is formulated at low concentrations suitable for enhancing savory flavor profiles. It dissolves readily in water and common solvents like propylene glycol, facilitating its inclusion in various food matrices.
What regulations and safety considerations apply to thioacetic acid?
Thioacetic acid’s use as a flavoring agent falls under regulatory frameworks such as FEMA (US), which assess safety and define permissible usage levels. It is classified as corrosive and highly flammable, necessitating proper handling and storage measures. Safety data indicate oral and dermal toxicity values within controlled limits. Usage levels in foods are specified to minimize exposure, with maximum allowable concentrations defined for different food categories. Its handling requires adherence to chemical safety guidelines to avoid skin and eye contact, consistent with standard industrial hygiene practices.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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 |
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 |
|
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 |