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octyl cinnamate
Octyl cinnamate is an ester compound primarily used in fragrances, characterized by balsamic and woody odor notes and a molecular formula of C17H24O2.
General Material Description
Octyl cinnamate is an organic ester derived from cinnamic acid and octanol, with the molecular formula C17H24O2. This compound is recognized for its clear, colorless to pale-yellow liquid form and is noted for a balsamic and slightly woody aroma profile. It appears in the literature under synonyms such as octyl (2E)-3-phenylacrylate and n-octyl cinnamate. Its sensory characteristics make it valuable in fragrance formulations. Octyl cinnamate’s structure and properties are cataloged in resources like PubChem. Typically, it is sourced via esterification of cinnamic acid with octanol, a process common in flavor and fragrance chemical manufacturing.
Occurrence, Applicability & Potential Uses
While octyl cinnamate is not commonly found as a natural product, derivatives of cinnamic acid are widespread in plants. Octyl cinnamate is primarily utilized as a fragrance agent imparting balsam, genet, heather, opoponax, and woody notes. Its olfactory profile lends complexity and warmth to perfume blends and personal care products. Usage guidelines are outlined in the IFRA Code of Practice (Global), which recommends maximum inclusion levels in fragrance concentrates up to 6.0%. Octyl cinnamate is generally not intended for flavor use and is mainly applied for scent enhancement where balsamic and ambery nuances are desired.
Physico-Chemical Properties Summary
Octyl cinnamate exhibits a molecular weight of approximately 260.38 g/mol and possesses a relatively high estimated logP value of 6.024, indicating significant lipophilicity. This property favors solubility in alcohol and other organic solvents while limiting aqueous solubility to a low estimated 0.233 mg/L at 25 °C. Its specific gravity is near unity (0.995 at 25 °C). The compound's vapor pressure at room temperature is very low (1.5 × 10-5 mmHg at 25 °C), reflecting minimal volatility which influences its release profile in fragrances. The flash point is reported at 212 °F (approximately 100 °C), supporting handling stability under standard conditions. These combined physicochemical features impact formulation strategies, especially in developing stable, long-lasting scented products.
FAQ
What is octyl cinnamate and what are its primary characteristics?
Octyl cinnamate is an ester of cinnamic acid and octanol known for its balsamic and woody aroma. It has the molecular formula C17H24O2 and appears as a clear to pale-yellow liquid. This compound is primarily used in fragrance formulations to provide warm, ambery nuances. It is identified by synonyms such as octyl (2E)-3-phenylacrylate and is well-characterized in public chemical databases.
How is octyl cinnamate used and where does it commonly occur?
Octyl cinnamate is chiefly applied as a fragrance ingredient to impart balsam, genet, heather, opoponax, and woody notes within perfumes and personal care products. It is not typically found in nature but is synthetically prepared through esterification. The compound's lipophilic character facilitates its incorporation into alcohol-based formulations. Regulatory frameworks like IFRA (Global) provide guidance for safe usage concentrations, typically limiting its presence to 6% in fragrance blends.
What regulations or safety considerations apply to octyl cinnamate?
Octyl cinnamate is classified without significant hazards under OSHA's Hazard Communication Standard (29 CFR 1910) and presents no specific GHS hazard classifications. IFRA's Code of Practice (Global) recommends restricting usage in fragrances to maintain safety standards. It is not intended for flavor applications. Safety data reviews from regulatory bodies such as EPA and ECHA provide additional toxicological information, though no substantial oral, dermal, or inhalation toxicity data have been established.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| ChemSpider: | View |
General Material Information
| Preferred name | octyl cinnamate |
| Trivial Name | Octyl cinnamate |
| Short Description | 2-propenoic acid, 3-phenyl-, octyl ester, (2E)- |
| Formula | C17 H24 O2 |
| CAS Number | 69038-78-4 |
| ECHA Number | 273-842-1 |
| FDA UNII | Search |
| Nikkaji Number | J332.794I |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 260.3766784668 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Vapor Pressure | 1.5E-5 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 6.024 est |
| Solubility | |
| alcohol | Yes |
| water, 0.233 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Balsamic | |
| balsamic, cinnamyl, opoponax | |
| General comment | At 100.00 %. balsam cinnamate opoponax |
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 | |||
| Recommendation for octyl cinnamate usage levels up to: | |||
| 6.0000 % in the fragrance concentrate. | |||
| Recommendation for octyl cinnamate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| 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 :5273468 |
| National Institute of Allergy and Infectious Diseases:Data |
| octyl (E)-3-phenylprop-2-enoate |
| Chemidplus:0069038784 |