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neryl phenyl acetate
Neryl phenyl acetate is an ester compound known for its floral aroma commonly used in fragrance formulations.
General Material Description
Neryl phenyl acetate is a synthetic ester compound characterized by the molecular formula C18H24O2. It belongs to the class of aromatic esters and is recognized for its strong floral scent, most notably reminiscent of honey, rose, and honeysuckle. The compound is also known by several synonyms, including benzeneacetic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester. It appears as a colorless to pale yellow liquid under standard conditions. This chemical is widely used in the fragrance industry as a key ingredient contributing to floral notes. Sources for neryl phenyl acetate typically involve synthetic derivation from phenylacetic acid and neryl alcohol precursors. More detailed chemical information is available from resources such as PubChem, underscoring its controlled-vocabulary classification as an aromatic ester.
Occurrence, Applicability & Potential Uses
Neryl phenyl acetate naturally occurs in trace amounts in certain floral essential oils, attributing to their characteristic scents. Its primary application lies in the fragrance industry, where it serves as an olfactory agent imparting floral notes such as gardenia, honeysuckle, hyacinth, jasmine, jonquil, lilac, narcissus, orange blossom, orchid, rose, wallflower, and wisteria. Additionally, it functions as a modifier in complex fragrance blends to enhance or adjust aroma profiles. The compound’s use is governed by standards including the IFRA (Global) Code of Practice, which recommends usage levels up to 20% in fragrance concentrates to ensure consumer safety and regulatory compliance. Neryl phenyl acetate is not approved for flavor use.
Physico-Chemical Properties Summary
Neryl phenyl acetate exhibits a relatively high molecular weight of approximately 272.39 g/mol and possesses a chemical structure promoting lipophilicity, as indicated by an estimated logP value of 5.1 to 5.475. This suggests significant solubility in non-polar solvents and compatibility with oil-phase fragrance formulations. It has a boiling point range between 327°C and 329°C at standard atmospheric pressure (760 mm Hg), reflecting its stability under typical formulation thermal processes. Vapor pressure at 25°C is extremely low (6.0 x 10-6 mmHg), indicating minimal volatility under ambient conditions, which contributes to fragrance longevity. The flash point is approximately 259°F, reflecting moderate flammability risk and necessitating standard handling precautions. The compound is soluble in alcohol but exhibits low solubility in water, consistent with its hydrophobic nature, which influences its dispersion characteristics and compatibility in aqueous systems.
FAQ
What is neryl phenyl acetate and what are its key characteristics?
Neryl phenyl acetate is an aromatic ester compound used primarily in fragrance applications. It is known for its distinct floral aroma, reminiscent of rose and honeysuckle, due to its molecular structure combining a neryl moiety with phenyl acetate. This compound typically appears as a colorless to pale yellow liquid with the molecular formula C18H24O2. It is valued in perfumery for its ability to impart complex floral notes and act as a modifier in scent compositions.
How is neryl phenyl acetate used, and where does it typically occur?
While neryl phenyl acetate occurs naturally in small quantities in certain floral essential oils, its prevalent use is as a synthetic fragrance ingredient. It is incorporated into perfumes and personal care products to provide floral facets such as gardenia, jasmine, lilac, and rose. The compound also functions as a modifier, enhancing or balancing aromatic profiles in complex blends. Due to its physicochemical properties, it is soluble in alcohol-based formulations but poorly soluble in water.
What regulations govern the use of neryl phenyl acetate, and how is it sourced safely?
Neryl phenyl acetate is regulated under the IFRA (International Fragrance Association) Code of Practice (Global), which sets guidelines limiting its concentration in fragrance concentrates to a maximum of 20% to maintain safety standards. It is not approved for flavoring uses. Suppliers typically produce the compound synthetically from phenylacetic acid and neryl alcohol under controlled conditions. Safety data indicate no significant hazards under standard handling; comprehensive safety assessments are available through the RIFM (Research Institute for Fragrance Materials) and regulatory databases.
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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2916.35.1500 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | neryl phenyl acetate |
| Trivial Name | (2Z)-3,7-Dimethyl-2,6-octadien-1-yl benzeneacetate |
| Short Description | benzeneacetic acid, (2Z)-3,7-dimethyl-2,6-octadien-1-yl ester |
| Formula | C18 H24 O2 |
| CAS Number | 10522-32-4 |
| ECHA Number | 234-069-5 |
| FDA UNII | Search |
| Nikkaji Number | J212.452A |
| xLogP3-AA | 5.10 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 272.38766479492 |
| Boiling Point | 327 to 329°C @ 760 mm Hg |
| Vapor Pressure | 6.0E-6 mmHg @ 25 °C |
| Flash Point TCC Value | 126.11 °C TCC |
| logP (o/w) | 5.475 est |
| Solubility | |
| alcohol | Yes |
| water, 0.09284 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| honey, rose, honeysuckle | |
| General comment | At 100.00 %. honey rose honeysuckle |
Potential Uses
| Applications | |
| Odor purposes | Gardenia , Honeysuckle , Hyacinth , Jasmin , Jonquil , Lilac , Narcissus , Orange blossom , Orchid , Rose , Wallflower , Wisteria |
| 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 | |||
| Recommendation for neryl phenyl acetate usage levels up to: | |||
| 20.0000 % in the fragrance concentrate. | |||
| Recommendation for neryl phenyl acetate 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 :6436374 |
| National Institute of Allergy and Infectious Diseases:Data |
| [(2Z)-3,7-dimethylocta-2,6-dienyl] 2-phenylacetate |
| Chemidplus:0010522324 |