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phenyl pyruvic acid
General Material Information
| Preferred name | phenyl pyruvic acid |
| Trivial Name | Phenylpyruvic acid |
| Short Description | 2-oxo-3-phenylpropionic acid |
| Formula | C9 H8 O3 |
| CAS Number | 156-06-9 |
| FEMA Number | 3892 |
| Flavis Number | 8.109 |
| ECHA Number | 205-847-1 |
| FDA UNII | X7CO62M413 |
| Nikkaji Number | J11.025F |
| Beilstein Number | 2207312 |
| MDL | MFCD00002589 |
| COE Number | 8109 |
| xLogP3-AA | 1.30 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1478 2-oxo-3-phenylpropionic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 156-06-9 ; 2-OXO-3-PHENYLPROPIONIC 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
| 2-oxo-3-phenylpropanoic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 997 |
| Pubchem (sid): | 134974264 |
| 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 |
| CHEMBL: | View |
| Golm Metabolome Database: | Search |
| KEGG (GenomeNet): | C00166 |
| HMDB (The Human Metabolome Database): | HMDB00205 |
| FooDB: | FDB008272 |
| YMDB (Yeast Metabolome Database): | YMDB00786 |
| Export Tariff Code: | 2918.30.3000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
| Alfa Biotechnology | BOC Sciences |
| Parchem | Penta International |
| Sigma-Aldrich: Aldrich | TCI AMERICA |
| Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 164.16035461426 |
| Boiling Point | 299 to 300°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 0.142 est |
| Solubility | |
| alcohol | Yes |
| propylene glycol | Yes |
| water, 6.522e+004 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Honey | |
| sweet, acidic, honey, almond, weedy, phenolic, green | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 146 hour(s) at 1.00 % in propylene glycol |
| Luebke, William tgsc, (2006) | At 100.00 %. sweet acidic honey almond weedy phenolic green |
| Flavor Type: Phenolic | |
| sweet, phenolic, grassy, honey, vegetable | |
| Luebke, William tgsc, (2006) | At 80.00 ppm in water. sweet phenolic grassy honey vegetable |
Potential Uses
| Applications | |
| Odor purposes | Floral , Flower shop , Honey , Tobacco |
| Flavoring purposes | Vegetable |
| Other purposes | Grass |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 22 - Do not breath dust. S 24/25 - Avoid contact with skin and eyes. | |
| 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for phenyl pyruvic acid usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | ND (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.09 (μg/capita/day) | ||
| 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: 18 | |||
| Click here to view publication 18 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | 0.50000 | 10.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | 1.00000 | 5.00000 | |
| cheese: | 0.50000 | 5.00000 | |
| chewing gum: | 1.00000 | 5.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 1.00000 | 5.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | 0.50000 | 5.00000 | |
| gelatins / puddings: | 0.50000 | 5.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 1.00000 | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 0.50000 | 5.00000 | |
| nut products: | - | - | |
| other grains: | 1.00000 | 5.00000 | |
| poultry: | - | - | |
| processed fruits: | 0.10000 | 1.00000 | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 50.00000 | 100.00000 | |
| snack foods: | - | - | |
| soft candy: | 1.00000 | 5.00000 | |
| soups: | - | - | |
| sugar substitutes: | 0.50000 | 5.00000 | |
| sweet sauces: | 1.00000 | 5.00000 | |
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 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):156-06-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :997 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| 2-oxo-3-phenylpropanoic acid |
| Chemidplus:0000156069 |