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3-phenyl propionaldehyde
3-phenyl propionaldehyde is an aldehyde compound used in flavors and fragrances, characterized by a green, melon-like aroma detectable at low concentrations.
General Material Description
3-phenyl propionaldehyde, systematically known as benzenepropanal, is an aromatic aldehyde with the molecular formula C9H10O. It appears as a colorless liquid possessing a distinctive green, fruity-melon odor profile. Recognized by synonyms such as hydrocinnamaldehyde and benzylacetaldehyde, this compound is commonly employed as a flavor and fragrance ingredient. It is catalogued in several chemical databases including PubChem, illustrating its established identity in scientific literature. Typically, 3-phenyl propionaldehyde is derived synthetically but also occurs naturally in a range of foodstuffs and botanicals. Its sensory attributes make it valuable for imparting fresh, green nuances in aroma and taste applications.
Occurrence, Applicability & Potential Uses
3-phenyl propionaldehyde naturally occurs in various foods and plants such as beer, chicken, cinnamon, wild marjoram, Oregon grape-holly, Pyrola grandiflora, and tomato. It contributes to the characteristic aromas and flavors of these sources. Industrially, it serves as a flavor and fragrance agent, adding green, fruity, and floral notes to formulations. The chemical complies with FEMA (US) standards, where it is registered under FEMA number 2887 and listed as generally recognized as safe (GRAS) for flavoring in food products. Additionally, it is used in perfuming agents within cosmetics and personal care, indicating versatility across product categories. Its applications leverage its strong odor substantivity and compatibility with various delivery media.
Physico-Chemical Properties Summary
3-phenyl propionaldehyde is a colorless liquid with a boiling range near 97–105 °C at reduced pressure (approximately 12–13 mm Hg). It exhibits a refractive index between 1.518 and 1.528 at 20 °C and a specific gravity close to 1.008–1.016 at room temperature. The compound demonstrates moderate volatility with a vapor pressure of 0.131 mmHg at 25 °C and an estimated logP of 1.78, reflecting moderate lipophilicity. It is soluble in alcohols and dipropylene glycol, with limited water solubility, estimated at about 1624 mg/L at 25 °C. The flash point is approximately 203 °F (95 °C). Stability profiles indicate non-discoloring behavior in most media including creams, shampoos, soaps, and powder formulations. These physicochemical traits influence its formulation suitability, especially for scent release and longevity in consumer products.
FAQ
What is 3-phenyl propionaldehyde and what are its main characteristics?
3-phenyl propionaldehyde is an aromatic aldehyde compound used primarily in flavor and fragrance applications. It has a molecular formula of C9H10O and is known for a green, floral, and melon-like odor profile. The material appears as a colorless liquid and is recognized under synonyms like benzenepropanal and hydrocinnamaldehyde. It naturally occurs in foods such as beer, chicken, cinnamon, and tomatoes, contributing to their aroma.
Where does 3-phenyl propionaldehyde naturally occur and how is it applied industrially?
This aldehyde is found in various natural sources including wild marjoram, Oregon grape-holly, and Pyrola grandiflora, as well as common foods like beer and chicken. Industrially, it is used as a flavoring agent to impart green, fruity, and floral notes, and as a fragrance ingredient in cosmetics and perfuming agents. Its inclusion is guided by standards such as FEMA (US), ensuring safe and effective use within recommended limits.
What safety considerations and regulations apply to 3-phenyl propionaldehyde?
3-phenyl propionaldehyde is classified as an irritant to skin and eyes, requiring appropriate handling precautions such as protective gloves and eyewear. It is regulated under FEMA (US) with a FEMA number of 2887, listed as generally recognized as safe (GRAS) for flavor use within specified concentration limits. The International Fragrance Association (IFRA) provides usage guidelines to minimize exposure risks. Safety data sheets indicate no significant oral or dermal toxicity at typical exposure levels, but contact with eyes and skin should be avoided.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| 3-phenylpropanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 104-53-0 |
| Pubchem (cid): | 7707 |
| Pubchem (sid): | 134972881 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33716 |
| FooDB: | FDB011835 |
| Export Tariff Code: | 2912.29.1000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | 3-phenyl propionaldehyde |
| Trivial Name | Benzenepropanal |
| Short Description | 3-phenylpropionaldehyde |
| Formula | C9 H10 O |
| CAS Number | 104-53-0 |
| Deleted CAS Number | 719304-66-2 |
| FEMA Number | 2887 |
| Flavis Number | 5.08 |
| ECHA Number | 203-211-8 |
| FDA UNII | LP1E86N30T |
| Nikkaji Number | J36.950K |
| Beilstein Number | 1071910 |
| MDL | MFCD00007021 |
| COE Number | 2013 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 645 3-phenylpropionaldehyde |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 104-53-0 ; 3-PHENYLPROPIONALDEHYDE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 134.17790222168 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.379 to 8.446 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 8.397 to 8.464 |
| Refractive Index | 1.519 to 1.523 @ 20 °C |
| Refractive Index | 1.518 to 1.528 @ 20 °C |
| Boiling Point | 97 to 98°C @ 12 mm Hg |
| Boiling Point | 104 to 105°C @ 13 mm Hg |
| Acid Value | 10 max KOH/g |
| Vapor Pressure | 0.131 mmHg @ 25 °C |
| Flash Point TCC Value | 95 °C TCC |
| logP (o/w) | 1.78 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 1624 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
| cream | Unspecified |
| hair spray | Unspecified |
| non-discoloring in most media | Unspecified |
| powder | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| fresh, cortex, green, leafy, foliage, balsamic, storax, aldehydic, floral, melon | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 244 hour(s) at 100.00 % |
| Luebke, William tgsc, (1987) | At 10.00 % in dipropylene glycol. fresh cortex green leaf foliage balsam storax |
| Mosciano, Gerard P&F 19, No. 3, 51, (1994) | Green, aldehydic, floral and melon |
| Flavor Type: Green | |
| green, melon, fruity, citrus | |
| Mosciano, Gerard P&F 19, No. 3, 51, (1994) | At 20.00 ppm. Green, melon, fruity and citrus |
| General comment | Green melon fruity citrus |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Almond , Almond , Apple blossom , Balsam , Carnation , Castoreum , Cherry , Cinnamon , Cucumber , Cyclamen , Hay new mown hay , Heliotrope , Honeydew , Hyacinth , Jasmin , Jonquil , Lilac , Lily , Melon , Musk , Orchid , Oriental , Plum mirabelle plum , Reseda , Rose , Rose red rose , Sweet pea , Tobacco , Ylang ylang |
| Flavoring purposes | Plum greengage plum |
| Other purposes | Blossom |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. 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 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H315 - Causes skin irritation H319 - Causes serious eye irritation | |
| Precautionary statement(s) | |
| P264 - Wash skin thouroughly after handling. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P302 + P352 - IF ON SKIN: wash with plenty of soap and water. P305 + P351 + P338 - IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. 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. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg One group of 10 animals received 5000 mg/kg, mortality 4/10, only summary available. (Russell, 1973d) intravenous-mouse LD50 56 mg/kg U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#05219 oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 967, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 967, 1974. | |
| 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 3-phenyl propionaldehyde usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 16.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 19.00 (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: | - | 5.50000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.70000 | |
| fruit ices: | - | 1.70000 | |
| gelatins / puddings: | - | 4.30000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| 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
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| 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 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008) View page or View pdf |
| Safety and efficacy of aryl-substituted primary alcohol, aldehyde, acid, ester and acetal derivatives belonging to chemical group 22 when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):104-53-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7707 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-phenylpropanal |
| Chemidplus:0000104530 |
| RTECS:MW4890000 for cas# 104-53-0 |