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salicylic acid, phenethyl ester
Notes:
Used imitation fruit flavours
| Fragrance Demo Formulas | ||
| CAS Number: | 87-22-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 201-732-5 | |
| FDA UNII: | 6LDP0U8UB0 | |
| Nikkaji Web: | J141.660J | |
| MDL: | MFCD00020036 | |
| CoE Number: | 437 | |
| XlogP3: | 4.50 (est) | |
| Molecular Weight: | 242.27418000 | |
| Formula: | C15 H14 O3 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
Category: flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 905 phenethyl salicylate |
| DG SANTE Food Flavourings: | 09.753 phenethyl salicylate |
| FEMA Number: | 2868 phenethyl salicylate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 87-22-9 ; PHENETHYL SALICYLATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | white crystalline powder (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 39.00 to 41.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 370.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 190.00 °C. @ 5.00 mm Hg |
| Congealing Point: | 41.00 °C. |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.000002 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 4.503 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| paraffin oil | |
| water, 7.856 mg/L @ 25 °C (est) | |
| Stability: | |
| alcoholic lotion | |
| antiperspirant | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| shampoo | |
| soap | |
| Similar Items: note | |
| allyl salicylate | |
| amyl salicylate | |
| isoamyl salicylate | |
| benzyl salicylate | |
| bornyl salicylate | |
| butyl salicylate | |
| isobutyl salicylate | |
| cinnamyl salicylate | |
| ortho-cresyl salicylate | |
| para-cresyl salicylate | |
| cyclohexyl salicylate | |
| decyl salicylate | |
| 2-ethyl hexyl salicylate | |
| ethyl salicylate | |
| heptyl salicylate | |
| (Z)-3-hexen-1-yl salicylate | |
| hexyl salicylate | |
| menthyl salicylate | |
| homomenthyl salicylate | |
| 2-methyl butyl salicylate | |
| methyl salicylate | |
| octyl salicylate | |
| 3-phenyl propyl salicylate | |
| phenyl salicylate | |
| prenyl salicylate | |
| propyl salicylate | |
| isopropyl salicylate | |
Organoleptic Properties:
| Odor Type: floral | |
| Odor Strength: | low |
| Substantivity: | 232 hour(s) at 20.00 % in dipropylene glycol |
| balsamic floral rose hyacinth carnation | |
| Odor Description: at 100.00 %. | balsamic floral rose hyacinth carnation Luebke, William tgsc, (1982) |
| Flavor Type: medicinal, | |
| medicinal metallic balsamic cloth laundered cloth powdery plastic | |
| Taste Description: | medicinal metallic balsamic laundered cloth powdery plastic Luebke, William tgsc, (1982) |
| Odor and/or flavor descriptions from others (if found). | |
| Moellhausen | |
| PHENYLETHYL SALICYLATE | |
| Odor Description: | medicinal, balsamic, slightly fruity-floral |
| Taste Description: | medicinal, balsamic |
| Pell Wall Perfumes | |
| Phenylethyl Salicylate | |
| Odor Description: | Mild, sweet-balsam, floral-carnation, hyacinth and rose Here’s Arctander talking about its uses: “This material is very well known, but not extensively used … the ester enjoys much popularity from a group of steady users who know the virtues of this versatile material. As a fixative in Lily, Muguet, Lilac, Rose, Carnation, Honey, Clover, etc. it has excellent results on its record, and as a blender for highly �chemical’ perfumes it can do small wonders. However, the title material does appear on the market in various grades, some of which are quite unacceptable, even some with phenolic off-odor. The ester blends particularly well with Cinnamic alcohol, Methylionones, Labdanum, the carbinols, etc. and as an undertone in more refined types of Fougere, it offers interesting possibilities.” |
| Perfumery Laboratory | |
| Phenyl Ethyl Salicylate IFF | |
| Odor Description: | Balsamic, pink floral fragrance with hints of hyacinth and carnations |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
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 | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of hydroxyl- and alkoxy-substituted benzyl derivatives used as flavor ingredients. View pdf | |
| 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 |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| 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 |
References:
| 2-phenylethyl 2-hydroxybenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 87-22-9 |
| Pubchem (cid): | 62332 |
| Pubchem (sid): | 135019727 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB35019 |
| FooDB: | FDB013624 |
| Export Tariff Code: | 2918.23.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| acacia | FR | |
| alpine bouquet | FR | |
| amber | FR | |
| apricot | FR | |
| artichoke | FL | |
| ash mountain ash | FR | |
| asparagus | FL | |
| autumn | FR | |
| azalea | FR | |
| balsam | FR | |
| bark | FR | |
| bayberry | FR | |
| bouquet | FR | |
| cabreuva wood | FR | |
| carnation | FR | |
| chestnut blossom | FR | |
| cilantro | FL/FR | |
| clematis | FR | |
| clover | FR | |
| coronilla | FR | |
| country meadow | FR | |
| crabapple blossom | FR | |
| cucumber | FR | |
| cyclamen | FR | |
| daffodil | FR | |
| earth | FR | |
| elder flower | FR | |
| fern | FR | |
| fir balsam | FR | |
| fixer | ||
| freesia | FR | |
| gardenia | FR | |
| genet | FR | |
| hawthorn | FR | |
| heather | FR | |
| herbal | FR | |
| honeysuckle | FR | |
| hugonia | FR | |
| hyacinth | FR | |
| incense | FR | |
| kewda | FR | |
| leather | FR | |
| lettuce | FL | |
| lilac | FR | |
| lily | FR | |
| lily of the valley | FR | |
| lotus | FR | |
| mimosa | FR | |
| narcissus | FR | |
| orchid | FR | |
| pansy | FR | |
| peach | FR | |
| pear prickly pear | FL | |
| petunia | FR | |
| pineapple | FR | |
| poppy | FR | |
| poppy red poppy | FR | |
| privet blossom | FR | |
| redwood | FR | |
| reseda | FR | |
| rhubarb | FR | |
| rose | FR | |
| rose tea rose | FR | |
| scented stock | FR | |
| stephanotis | FR | |
| styrax | FR | |
| sweet pea | FR | |
| tea | FL | |
| tuberose | FR | |
| violet leaf | FR | |
| wintergreen | FR | |
| woody | FR | |
| yew | FR | |
| ylang ylang | FR |
Occurrence (nature, food, other): note
| astragalus sahendi flower Search Trop Picture | |
| gardenia tahitian gardenia flower Search Trop Picture | |
| plumeria flower Search Trop Picture |
Synonyms:
| benzoic acid, 2-hydroxy-, 2-phenylethyl | |
| benzoic acid, 2-hydroxy-, 2-phenylethyl ester | |
| benzyl carbinyl 2-hydroxy benzoate | |
| benzyl carbinyl 2-hydroxybenzoate | |
| benzyl carbinyl salicylate | |
| benzylcarbinyl 2-hydroxybenzoate | |
| benzylcarbinyl salicylate | |
| diethyl 1,2-dihydroxy-1, 2-ethanedicarboxylate | |
| 2- | hydroxybenzoic acid 2-phenethyl ester |
| 2- | hydroxybenzoic acid 2-phenyl ethyl ester |
| phenethyl 2-hydroxybenzoate | |
| 2- | phenyl ethyl 2-hydroxybenzoate |
| 2- | phenyl ethyl salicylate |
| 2- | phenylethyl 2-hydroxybenzoate |
| phenylethyl salicylate | |
| 2- | phenylethyl salicylate |
| salicylic acid phenethyl ester | |
| salicylic acid phenyl ethyl ester | |
| salicylic acid, phenethyl ester |