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phenethyl salicylate
Phenethyl salicylate is a scent and flavor ester with floral notes, occurring naturally in various flowers and used primarily in fragrance and flavor formulations.
General Material Description
Phenethyl salicylate is an ester derived from salicylic acid and phenethyl alcohol, classified as an aromatic ester with the molecular formula C15H14O3. This compound appears as a colorless to pale yellow liquid and is characterized by a balsamic, floral odor reminiscent of rose, hyacinth, and carnation. It is known by various synonyms including 2-hydroxybenzoic acid 2-phenethyl ester and benzyl carbinyl salicylate. Phenethyl salicylate is naturally present in several flowers such as astragalus sahendi, gardenia, and plumeria. It is commonly sourced through synthetic esterification but can also be extracted from botanical materials. For further detailed chemical information, refer to its PubChem entry.
Occurrence, Applicability & Potential Uses
Phenethyl salicylate naturally occurs in certain flowers like astragalus sahendi, gardenia tahitian gardenia, and plumeria, contributing to their distinctive floral scents. Its primary application is as a flavor and fragrance agent, valued for adding mild floral, balsamic, and slightly medicinal characteristics to compositions. In perfumery, it serves as a fixing agent enhancing scent longevity, while in flavors it imparts nuances to products such as artichoke, asparagus, tea, and various fruits. Usage guidelines align with standards like FEMA (US) which monitors its safety and application limits in consumer products.
Physico-Chemical Properties Summary
Phenethyl salicylate exhibits physical properties relevant to its formulation use. It has a melting point range of 39 to 41°C, indicating it is solid near room temperature but melts slightly above ambient conditions. The compound has a high estimated logP value of 4.503, reflecting significant lipophilicity that enhances solubility in oils and alcohols but low water solubility at approximately 7.856 mg/L at 25°C. Its vapor pressure at 25°C is very low (2.0×10-6 mmHg), indicating low volatility. The flash point of 230°F (approximately 110°C) supports safe handling under normal conditions. Storage recommendations specify cool, dry, and light-protected environments to maintain stability over its shelf life, typically up to 24 months or longer if well stored. These characteristics make phenethyl salicylate suitable for incorporation in scented and flavored products requiring extended longevity and compatibility with oily or alcoholic bases.
FAQ
What is phenethyl salicylate and what are its main characteristics?
Phenethyl salicylate is an ester formed from salicylic acid and phenethyl alcohol, widely used in the flavor and fragrance industries. It combines a floral and balsamic smell with subtle medicinal notes. This compound is identified by CAS number 87-22-9 and appears as a clear to pale yellow liquid. It naturally occurs in flowers such as gardenia and plumeria, contributing to their aromatic profiles.
Where does phenethyl salicylate occur naturally, and how is it used industrially?
Phenethyl salicylate occurs in several botanical sources, including astragalus sahendi flower, Tahitian gardenia, and plumeria flowers. Industrially, it is applied mainly as a fragrance and flavoring agent. It imparts floral and balsamic qualities to perfumes and enhances flavor profiles in foods like tea, asparagus, and artichoke. It also operates as a fixative in scent formulations, increasing the durability of fragrances.
What safety regulations and usage guidelines apply to phenethyl salicylate?
Phenethyl salicylate is subject to regulatory evaluation by bodies such as FEMA (US) and IFRA (Global). IFRA guidelines specify maximum skin concentrations in fine fragrances to ensure consumer safety, generally up to 1.49% in finished products. Safety data indicate it may cause skin and eye irritation and respiratory irritation upon exposure; thus, appropriate precautions are recommended during handling. It is classified under GHS as a skin irritant and environmental hazard, advising careful storage and disposal to mitigate risks.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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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 |
| HMDB (The Human Metabolome Database): | HMDB35019 |
| FooDB: | FDB013624 |
| Export Tariff Code: | 2918.23.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | phenethyl salicylate |
| Trivial Name | Phenethyl salicylate |
| Short Description | salicylic acid, phenethyl ester |
| Formula | C15 H14 O3 |
| CAS Number | 87-22-9 |
| FEMA Number | 2868 |
| FDA UNII | 6LDP0U8UB0 |
| Nikkaji Number | J141.660J |
| MDL | MFCD00020036 |
| COE Number | 437 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 905 phenethyl salicylate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 87-22-9 ; PHENETHYL SALICYLATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 242.27418518066 |
| Melting Point | 39 to 41°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 2.0E-6 mmHg @ 25 °C |
| Flash Point TCC Value | 110 °C TCC |
| logP (o/w) | 4.503 est |
| 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 | |
| alcohol | Yes |
| paraffin oil | Yes |
| water, 7.856 mg/L @ 25 °C (est) | Yes |
| Stability | |
| alcoholic lotion | Unspecified |
| antiperspirant | Unspecified |
| deo stick | Unspecified |
| detergent perborate | Unspecified |
| fabric softener | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Floral | |
| balsamic, floral, rose, hyacinth, carnation | |
| Odor strength | low |
| Substantivity | 232 hour(s) at 20.00 % in dipropylene glycol |
| Luebke, William tgsc, (1982) | At 100.00 %. balsamic floral rose hyacinth carnation |
| Flavor Type: Medicinal, | |
| medicinal, metallic, balsamic, cloth laundered cloth, powdery, plastic | |
| General comment | Medicinal metallic balsamic laundered cloth powdery plastic |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Alpine bouquet , Amber , Apricot , Ash mountain ash , Autumn , Azalea , Balsam , Bark , Bayberry , Bouquet , Cabreuva wood , Carnation , Chestnut blossom , Cilantro , Clematis , Clover , Coronilla , Country meadow , Crabapple blossom , Cucumber , Cyclamen , Daffodil , Earth , Elder flower , Fern , Fir balsam , Freesia , Gardenia , Genet , Hawthorn , Heather , Herbal , Honeysuckle , Hugonia , Hyacinth , Incense , Kewda , Leather , Lilac , Lily , Lily of the valley , Lotus , Mimosa , Narcissus , Orchid , Pansy , Peach , Petunia , Pineapple , Poppy , Poppy red poppy , Privet blossom , Redwood , Reseda , Rhubarb , Rose , Rose tea rose , Scented stock , Stephanotis , Styrax , Sweet pea , Tuberose , Violet leaf , Wintergreen , Woody , Yew , Ylang ylang |
| Flavoring purposes | Artichoke , Asparagus , Cilantro , Lettuce , Pear prickly pear , Tea |
| Other purposes | Fixer |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi N - Irritant, Dangerous for the environment. | |
| R 36/38 - Irritating to skin and eyes. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. 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 36 - Wear suitable protective clothing. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| 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 | |
| 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 | |
| Precautionary statement(s) | |
| 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 + P312 - IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER or doctor/ physician if you feel unwell. 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. 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: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg (Moreno, 1973ab) | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| maximum skin levels for fine fragrances: | |||
| 1.4900 % and are based on the assumption that the fragrance mixture is used at 20% in a consumer product (IFRA Use Level Survey).(IFRA, 2002) | |||
| Recommendation for phenethyl salicylate usage levels up to: | |||
| 12.0000 % in the fragrance concentrate. | |||
| use level in formulae for use in cosmetics: | |||
| 1.8827 % | |||
| Dermal Systemic Exposure in Cosmetic Products: | |||
| 0.0480 mg/kg/day (IFRA, 2002) | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 4.00 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 2.00000 | 2.00000 | |
| beverages(nonalcoholic): | - | 0.75000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.67000 | |
| fruit ices: | - | 0.67000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.50000 | |
| 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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (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 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf |
| EPI System: View |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):87-22-9 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62332 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3077 |
| WGK Germany:2 |
| 2-phenylethyl 2-hydroxybenzoate |
| Chemidplus:0000087229 |