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ortho-cresyl salicylate
Ortho-cresyl salicylate is an ester used in flavor and fragrance applications, notable for its herbal eucalyptus odor and balsam-like scent.
General Material Description
Ortho-cresyl salicylate, also known by its trivial name o-tolyl salicylate and chemical name 2-methylphenyl 2-hydroxybenzoate, is a synthetic organic ester compound. It appears as a clear liquid with a molecular formula of C14H12O3 and a molecular weight of approximately 228.25 g/mol. This compound is notable for its herbal, eucalyptus-like aroma, commonly used in fragrance and flavor applications to impart balsam and herbal notes. It is catalogued in chemical resources such as PubChem and has various synonyms including salicylic acid ortho-tolyl ester. The compound is typically derived via esterification of salicylic acid with o-cresol (2-methylphenol) and is mostly employed in flavor and fragrance industries for its distinctive scent profile.
Occurrence, Applicability & Potential Uses
Ortho-cresyl salicylate is not naturally occurring but is manufactured for use primarily as a fragrance and flavor additive. Its characteristic herbal eucalyptus odor and balsam notes make it valuable in perfumery and flavor blends where such profiles are desired. The compound is included in flavor usage assessments by FEMA (US) with the designation FEMA 3734, which supports its application in controlled concentrations within flavor and fragrance formulations. Its usage is guided by standards such as the IFRA Code of Practice (Global), where limits on concentration ensure safe and effective application. The material’s properties facilitate use in products requiring herbal or balsamic aromatic accents.
Physico-Chemical Properties Summary
Ortho-cresyl salicylate exhibits physical properties relevant to its formulation handling and stability. It has a specific gravity range of 1.164 to 1.174 at 25°C and a refractive index between 1.576 and 1.584 at 20°C, indicating dense optical characteristics. Its boiling point is relatively high, between 378 and 379°C at atmospheric pressure, ensuring thermal stability in many applications. It is soluble in alcohols and sparingly soluble in water, with an estimated water solubility of 22.02 mg/L at 25°C. The compound has an estimated logP of 3.688, indicating moderate lipophilicity, which influences its diffusion and volatility in product matrices. Its flash point is 324°F (approximately 162°C), consistent with safe handling parameters in fragrancing operations. An acid value maximum of 1 KOH/g suggests low acidity, suitable for stable formulations.
FAQ
What is ortho-cresyl salicylate and what are its primary characteristics?
Ortho-cresyl salicylate is an organic ester known chemically as 2-methylphenyl 2-hydroxybenzoate. It is primarily used as a flavor and fragrance agent due to its herbal and balsamic odor profile. The compound is a clear liquid with a molecular weight around 228.25 g/mol and features characteristics such as moderate solubility in alcohols and low water solubility. It is recognized by identifiers such as CAS number 617-01-6 and FEMA number 3734.
How is ortho-cresyl salicylate typically used, and where does it occur?
This compound is synthetically produced rather than found naturally. It is mainly applied in flavor and fragrance industries to create herbal, balsam-like aromatic effects in products. Its use is supported by flavor and fragrance regulatory bodies, and it is incorporated in compositions where a clear, herbal eucalyptus scent is beneficial. The material’s physicochemical properties support its integration into alcohol-based fragrance solutions and certain flavor formulations.
What regulations and safety guidelines apply to ortho-cresyl salicylate?
Ortho-cresyl salicylate is regulated under FEMA (US) guidelines with FEMA number 3734, and is subject to usage concentration limits outlined by the IFRA Code of Practice globally. Safety assessments indicate no significant hazard classifications under OSHA standards. Recommended maximum concentration in fragrance concentrates is around 0.1%. Toxicological data shows an oral rat LD50 of 1.81 ml/kg. Users should consult safety data sheets and comply with regional regulatory frameworks such as REACH (EU) for handling and use.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
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| Perfumer & Flavorists | Start search |
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| 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): | HMDB37667 |
| FooDB: | FDB016794 |
| Export Tariff Code: | 2918.23.0000 |
| ChemSpider: | View |
General Material Information
| Preferred name | ortho-cresyl salicylate |
| Trivial Name | 2-Methylphenyl 2-hydroxybenzoate |
| Short Description | o-tolyl salicylate |
| Formula | C14 H12 O3 |
| CAS Number | 617-01-6 |
| FEMA Number | 3734 |
| Flavis Number | 9.807 |
| ECHA Number | 210-500-2 |
| FDA UNII | MXU84PJ614 |
| Nikkaji Number | J136.477D |
| NMR Predictor | External link |
| JECFA Food Flavoring | 907 o-tolyl salicylate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 617-01-6 ; O-TOLYL SALICYLATE |
| Synonyms |
|
Suppliers
| Axsyn | BOC Sciences |
| Parchem |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 228.24723815918 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 9.686 to 9.769 |
| Refractive Index | 1.576 to 1.584 @ 20 °C |
| Boiling Point | 378 to 379°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Flash Point TCC Value | 162.22 °C TCC |
| logP (o/w) | 3.688 est |
| Solubility | |
| alcohol | Yes |
| water, 22.02 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Herbal | |
| herbal, eucalyptus | |
| General comment | At 1.00 % in dipropylene glycol. herbal eucalyptus |
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: | |
| oral-rat LD50 [sex: M,F] 1.81 ml/kg (Sterner & Chibanguza, 1983) | |
| 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 | |||
| Recommendation for ortho-cresyl salicylate usage levels up to: | |||
| 0.1000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 28.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 30.00 (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: 13 | |||
| Click here to view publication 13 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 15.00000 | |
| 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) 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 |
| Scientific Opinion on Flavouring Group Evaluation 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87. View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61159 |
| National Institute of Allergy and Infectious Diseases:Data |
| (2-methylphenyl) 2-hydroxybenzoate |
| Chemidplus:0000617016 |