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(E)-aconitic acid
General Material Information
| Preferred name | (E)-aconitic acid |
| Trivial Name | trans-Aconitic acid |
| Short Description | trans-aconitic acid |
| Formula | C6 H6 O6 |
| CAS Number | 4023-65-8 |
| ECHA Number | 223-688-6 |
| FDA UNII | 7DB37960CW |
| Nikkaji Number | J79.903C |
| Beilstein Number | 1725830 |
| MDL | MFCD00002721 |
| COE Number | 33 |
| xLogP3-AA | -1.00 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| 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
| (E)-prop-1-ene-1,2,3-tricarboxylic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 444212 |
| Pubchem (sid): | 135035817 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C02341 |
| HMDB (The Human Metabolome Database): | HMDB00958 |
| FooDB: | FDB008305 |
| Export Tariff Code: | 2917.19.7050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| BOC Sciences | Parchem |
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich: Aldrich | TCI AMERICA |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 174.10902404785 |
| Melting Point | 194 to 195°C @ 760 mm Hg |
| Boiling Point | 542 to 543°C @ 760 mm Hg |
| Flash Point TCC Value | 296 °C TCC |
| logP (o/w) | -0.14 |
| Solubility | |
| alcohol | Yes |
| ether, slightly soluble in ether | Yes |
| water | Yes |
| water, 1.938e+005 mg/L @ 25 °C (est) | Yes |
| paraffin oil | No |
Organoleptic Properties
| Odor Type: Vegetable | |
| vegetable, musty, nutty, dry, toasted | |
| General comment | At 100.00 %. vegetable musty nut dry toasted |
Occurrences
| (data available) |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. 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) | |
| Acute toxicity, Oral (Category 4), H302 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H302 - Harmful if swallowed | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P270 - Do not eat, drink or smoke when using this product. P301 + P312 - IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P330 - Rinse mouth. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for (E)-aconitic acid usage levels up to: | |||
| not for fragrance use. | |||
| 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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 0.60000 | 15.00000 | |
| beverages(nonalcoholic): | 0.20000 | 2.00000 | |
| beverages(alcoholic): | - | 20.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 28.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.60000 | |
| fruit ices: | - | 0.60000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 0.60000 | 30.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4023-65-8 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :444212 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| (E)-prop-1-ene-1,2,3-tricarboxylic acid |
| Chemidplus:0004023658 |