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phenyl acetic acid
General Material Information
| Preferred name | phenyl acetic acid |
| Trivial Name | Phenylacetic acid |
| Short Description | phenylacetic acid |
| Formula | C8 H8 O2 |
| CAS Number | 103-82-2 |
| FEMA Number | 2878 |
| Flavis Number | 8.038 |
| ECHA Number | 203-148-6 |
| FDA UNII | ER5I1W795A |
| Nikkaji Number | J10.117F |
| Beilstein Number | 1099647 |
| MDL | MFCD00004313 |
| COE Number | 672 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1007 phenylacetic acid |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 103-82-2 ; PHENYLACETIC 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-phenylacetic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-82-2 |
| Pubchem (cid): | 999 |
| Pubchem (sid): | 134972411 |
| Flavornet: | 103-82-2 |
| 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 |
| Metabolomics Database: | Search |
| UM BBD: | Search |
| KEGG (GenomeNet): | C07086 |
| HMDB (The Human Metabolome Database): | HMDB00209 |
| FooDB: | FDB010558 |
| YMDB (Yeast Metabolome Database): | YMDB00891 |
| Export Tariff Code: | 2916.34.1500 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: grades: technical; fcc. | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 136.15016174316 |
| Melting Point | 76 to 78°C @ 760 mm Hg |
| Boiling Point | 265 to 266°C @ 760 mm Hg |
| Boiling Point | 142 to 143°C @ 10 mm Hg |
| Vapor Pressure | 0.005 mmHg @ 25 °C |
| Vapor Density | 4 |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 1.41 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| fixed oils | Yes |
| glycerin | Yes |
| water, 1.348e+004 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| bath foam | Unspecified |
| cream | Unspecified |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
Organoleptic Properties
| Odor Type: Honey | |
| sweet, honey, floral, honeysuckle, sour, waxy, civet, rose, chocolate, tobacco, powdery, animal | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 400 hour(s) at 10.00 % in dipropylene glycol |
| Luebke, William tgsc, (1987) | At 10.00 % in dipropylene glycol. sweet honey floral honeysuckle sour waxy civet |
| Mosciano, Gerard P&F 21, No. 4, 51, (1996) | Sweet, floral, honey, rose, chocolate, tobacco and powdery with animal nuances |
| Flavor Type: Floral | |
| sweet, floral, chocolate, honey, tobacco | |
| Mosciano, Gerard P&F 21, No. 4, 51, (1996) | At 30.00 ppm. Sweet, floral, chocolate, honey and tobacco |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia, Amber, Animal, Apple blossom, Arnica flower, Beeswax absolute replacer, Bouquet, Castoreum, Civet, Clover, Date, Deertongue absolute replacer, Elder berry, Elder flower, Fig, Floral, Genet, Geranium, Graham cracker, Grape, Heliotrope, Honey, Honeysuckle, Immortelle, Jasmin, Kewda, Licorice, Lilac, Musk, Narcissus, Neroli, Orange blossom, Passion blossom, Pumpkin pie, Rose, Rose red rose, Sweet pea, Tobacco, Toffee, Vanilla, Violet, Wallflower |
| Flavoring purposes | Absinthe, Cappuccino, Chocolate cocoa, Immortelle, Tropical |
| Other purposes | Fixer |
| Cosmetic purposes | Perfuming agents |
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 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 37/39 - Wear suitable gloves and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Skin irritation (Category 2), H315 Eye irritation (Category 2A), H319 Specific target organ toxicity - single exposure (Category 3), Respiratory system, H335 Reproductive toxicity (Category 2), H361 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation H335 - May cause respiratory irritation H361 - Suspected of damaging fertility or the unborn child | |
| Precautionary statement(s) | |
| P201 - Obtain special instructions before use. P202 - Do not handle until all safety precautions have been read and understood. P261 - Avoid breathing dust/fume/gas/mist/vapours/spray. P264 - Wash skin thouroughly after handling. P271 - Use only outdoors or in a well-ventilated area. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P304 + P340 - IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P308 + P313 - IF exposed or concerned: Get medical advice/attention. P332 + P313 - IF SKIN irritation occurs: Get medical advice/attention. P337 + P313 - IF eye irritation persists: Get medical advice/attention. P362 - Take off contaminated clothing and wash before reuse. P403 + P233 - Store in a well-ventilated place. Keep container tightly closed. P405 - Store locked up. P501 - Dispose of contents/ container to an approved waste disposal plant. | |
| Human Experience: | |
| 2 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Keating, 1972c) gavage-guinea pig LD50 [sex: M,F] 2250 mg/kg (Zaitsev & Rakhmanina, 1974) gavage-mouse LD50 [sex: M,F] 2250 mg/kg (Zaitsev & Rakhmanina, 1974) gavage-rat LD50 [sex: M,F] 2250 mg/kg (Zaitsev & Rakhmanina, 1974) oral-guinea pig LD50 2250 mg/kg Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. intraperitoneal-mouse LD50 2270 mg/kg Farmaco, Edizione Scientifica. Vol. 13, Pg. 286, 1958. oral-mouse LD50 2250 mg/kg Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. intraperitoneal-rat LD50 1600 mg/kg Bollettino Chimico Farmaceutico. Vol. 112, Pg. 53, 1973. oral-rat LD50 2250 mg/kg Voprosy Pitaniya. Problems of Nutrition. Vol. 33(5), Pg. 48, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 13, Pg. 901, 1975. subcutaneous-mouse LD50 1500 mg/kg Archives Internationales de Pharmacodynamie et de Therapie. Vol. 116, Pg. 154, 1958. | |
| 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 acetic acid usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 240.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 60.00 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 12.00000 | |
| beverages(nonalcoholic): | - | 1.80000 | |
| beverages(alcoholic): | - | 0.10000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 5.40000 | 11.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.30000 | |
| fruit ices: | - | 5.30000 | |
| gelatins / puddings: | - | 27.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.90000 | |
| 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
| 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 |
| Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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 |
| Flavouring Group Evaluation 33 (FGE.33)[1] - Six Tetrahydrofuran Derivatives from Chemical Groups 13, 14, 16 and 26 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf |
| EPI System: View |
| ClinicalTrials.gov:search |
| NIOSH International Chemical Safety Cards:search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):103-82-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :999 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3335 |
| WGK Germany:1 |
| 2-phenylacetic acid |
| Chemidplus:0000103822 |
| RTECS:103-82-2 |