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phenethyl salicylate
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 |
|
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 |
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 |
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 |