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allyl salicylate
Allyl salicylate is an ester of salicylic acid with a fruity, herbal aroma used as a fragrance component mainly in perfumery applications.
General Material Description
Allyl salicylate is an aromatic ester derived from salicylic acid and allyl alcohol, with the molecular formula C10H10O3. It appears as a clear liquid known for its distinctive fruity and herbal odor characterized by notes reminiscent of banana, pineapple, grape, and wintergreen. Synonyms include benzoic acid, 2-hydroxy-, 2-propenyl ester; salicylic acid allyl ester; and allyl o-hydroxybenzoate. This compound is commonly utilized as a fragrance agent and is listed in databases such as PubChem, where its chemical and physical properties are well documented. Allyl salicylate is typically sourced via esterification processes involving salicylic acid and allyl alcohol, making it accessible for use in scent formulations.
Occurrence, Applicability & Potential Uses
Allyl salicylate is not commonly found in nature but is primarily synthesized for use in the fragrance industry. Its scent profile includes fruity elements such as banana and grape, as well as herbal and wintergreen nuances, making it valuable in various perfumery applications that require these aromatic effects. The compound serves as a modifier enhancing fruity or herbaceous notes and is particularly recommended for use up to 0.5% concentration in fragrance concentrates according to IFRA (Global) standards. Though not approved for flavor use, its odor properties sometimes inspire flavor formulations involving mustard and vinegar notes. These application parameters stem from regulatory evaluations ensuring safe handling and consumer use.
Physico-Chemical Properties Summary
Allyl salicylate exhibits a moderate molecular weight of approximately 178.19 g/mol and a structural formula characterized by a salicylic acid base esterified with an allyl group. It has a specific gravity around 1.1 at 15 °C, with a boiling range of 247 to 250 °C at standard atmospheric pressure (760 mm Hg). The compound’s vapor pressure is low, approximately 0.015 mmHg at 25 °C, indicating limited volatility under ambient conditions. Its estimated partition coefficient (log P) of 3.29 suggests moderate lipophilicity, influencing its solubility—allyl salicylate dissolves readily in alcohol and has limited water solubility, estimated at 242 mg/L at 25 °C. Its flash point near 112 °C (45.6 °C converted from 234 °F) reflects relatively low flammability risks in typical usage scenarios.
FAQ
What is allyl salicylate and what are its primary uses?
Allyl salicylate is an ester of salicylic acid and allyl alcohol that functions mainly as a fragrance ingredient. It is prized for its fruity, herbal aroma with notes of banana, pineapple, grape, and wintergreen. This compound is predominantly used in perfumery to enhance or modify scent profiles, particularly those requiring fruity or herbal character. It is not typically used as a flavoring agent.
How is allyl salicylate synthesized and where is it commonly applied?
Allyl salicylate is synthesized through the esterification of salicylic acid with allyl alcohol. Due to its distinctive aroma, it finds wide application in fragrance formulations globally, especially within perfumes and scented products. Its usage is often limited to concentrations up to 0.5% in fragrance concentrates according to IFRA (Global) guidelines. Its odor characteristics also inspire roles as a modifier enhancing fruit and herbal notes.
What regulatory guidelines exist for the safe use of allyl salicylate?
Allyl salicylate is subject to safety assessments and usage restrictions outlined by the International Fragrance Association (IFRA) globally. Current standards recommend usage levels not exceeding 0.5% in fragrance concentrates. No specific hazard classifications have been identified under OSHA regulations, but safety data is continuously evaluated by organizations such as RIFM. This compound is not approved for flavor use, and formulators are advised to adhere strictly to prescribed limits to ensure product safety.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
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| 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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2918.23.0000 |
| ChemSpider: | View |
General Material Information
| Preferred name | allyl salicylate |
| Trivial Name | Allyl salicylate |
| Short Description | salicylic acid, allyl ester |
| Formula | C10 H10 O3 |
| CAS Number | 10484-09-0 |
| ECHA Number | 233-992-0 |
| FDA UNII | J7HJ0PS9K0 |
| Nikkaji Number | J102.636D |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 178.18730163574 |
| Specific gravity | @ 15 °C |
| Pounds per Gallon | |
| Boiling Point | 247 to 250°C @ 760 mm Hg |
| Boiling Point | 107 to 112°C @ 4 mm Hg |
| Vapor Pressure | 0.015 mmHg @ 25 °C |
| Flash Point TCC Value | 112.22 °C TCC |
| logP (o/w) | 3.29 est |
| Solubility | |
| alcohol | Yes |
| water, 242 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, banana, pineapple, wintergreen | |
| General comment | At 100.00 %. fruity banana pineapple wintergreen |
Potential Uses
| Applications | |
| Odor purposes | Banana , Fruit , Grape , Herbal , Wintergreen |
| Flavoring purposes | Mustard , Vinegar |
| Other purposes | Modifier |
Safety Information
Safety information
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| IFRA Purity Specification: | |||
| Recommendation for allyl salicylate usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Recommendation for allyl salicylate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):10484-09-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :66330 |
| National Institute of Allergy and Infectious Diseases:Data |
| prop-2-enyl 2-hydroxybenzoate |
| Chemidplus:0010484090 |