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clean nitrile
Clean Nitrile, also known as tetradecanenitrile, is a fragrance compound with a clean, fresh orange peel odor used in perfumery and flavoring applications.
General Material Description
Clean Nitrile, with the chemical formula C14H27N, is an aliphatic nitrile commonly referred to as tetradecanenitrile. It is recognized under various synonyms such as myristic nitrile, tetradecane nitrile, and oranile (a trade name by Givaudan). This organic compound presents as a medium-strength odorant characterized by a fresh, clean, and citrus-like aroma reminiscent of orange peel and orange blossom. Clean Nitrile is sourced primarily through synthetic routes, emulating naturally occurring nitriles. It is catalogued in chemical databases such as PubChem where its molecular structure and identifiers are detailed. Its sensory profile makes it valuable in fragrance formulations targeting fresh and green notes.
Occurrence, Applicability & Potential Uses
This compound naturally occurs in trace amounts within champaca concrete and other botanical extractions. Its primary application is as a fragrance agent contributing fresh citrus, orange blossom, and green nuances to perfumes and scented products. Under the IFRA (Global) standards, Clean Nitrile is approved for use in fragrance concentrates, with recommended maximum usage levels typically not exceeding 2.0%. The compound’s versatility includes imparting clean linen, clover, and orchid odor notes, often enhancing wet or fresh aromatic effects in compositions. It is not intended for flavor use according to current recommendations.
Physico-Chemical Properties Summary
Clean Nitrile exhibits a molecular weight of approximately 209.38 g/mol and demonstrates a melting point range between 17 and 19°C and a boiling point near 304 to 305°C at standard atmospheric pressure (760 mm Hg). It possesses a relatively high estimated log P value of 5.78, indicating notable hydrophobicity and lipophilicity. This feature contributes to its limited water solubility (~0.26 mg/L at 25°C) while maintaining solubility in alcohol solvents. The compound has a flash point of about 200°F, reflecting moderate volatility and thermal stability. Vapor pressure at 25°C is very low (0.001 mmHg), suggesting slow evaporation under ambient conditions, which affects its substantivity in fragrance formulations, noted to last over 300 hours at full concentration.
FAQ
What is Clean Nitrile and what are its main properties?
Clean Nitrile, known chemically as tetradecanenitrile, is a long-chain aliphatic nitrile with a molecular formula C14H27N. It is recognized for its fresh, clean citrus odor, reminiscent of orange peel and orange blossom. The compound exhibits a medium odor strength and substantivity exceeding 300 hours at full concentration. Physicochemically, it melts at approximately 17 to 19°C and boils near 304 to 305°C, with limited water solubility and high lipophilicity.
Where does Clean Nitrile occur naturally, and how is it used?
This compound is found in trace amounts in champaca concrete and similar botanical extracts. Its main industrial application is in fragrance formulation, where it adds fresh, green, and citrus-like qualities to products such as perfumes and scented goods. Usage levels are regulated, with IFRA (Global) guidelines recommending limits up to 2% in fragrance concentrates. It contributes odor notes such as bergamot, clover, clean linen, and orchid but is not approved for flavoring purposes.
What safety and regulatory information applies to Clean Nitrile?
Clean Nitrile has no classified hazards under current OSHA HCS regulations and no associated precautionary label elements. It lacks specific oral, dermal, or inhalation toxicity data. The compound falls under fragrance agent categories in safety assessments by RIFM. IFRA (Global) guidelines provide usage limits to ensure safe application in perfumery. Regulatory databases such as ECHA REACH and EPA TSCA provide additional substance information. Safety data sheets (SDS) are available from chemical suppliers for detailed handling instructions.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
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| 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: | 2926.90.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | clean nitrile |
| Trivial Name | Tetradecanenitrile |
| Short Description | oranile (Givaudan) |
| Formula | C14 H27 N |
| CAS Number | 629-63-0 |
| ECHA Number | 211-099-7 |
| FDA UNII | Search |
| Nikkaji Number | J94.931K |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 209.37619018555 |
| Melting Point | 17 to 19°C @ 760 mm Hg |
| Boiling Point | 304 to 305°C @ 760 mm Hg |
| Vapor Pressure | 0.001 mmHg @ 25 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 5.78 est |
| Solubility | |
| alcohol | Yes |
| water, 0.2625 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Clean | |
| fresh, clean, orangeflower, green, wet | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 308 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 10.00 % in dipropylene glycol. fresh clean orangeflower green wet |
| General comment | STRONG, FRESH, CITRUS, ORANGE PEEL |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Bergamot , Clean linen , Clover , Green , Orange , Orange blossom , Orchid |
| Other purposes | Clean , Wet |
Safety Information
Safety information
| Preferred SDS: View | |
| 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 clean nitrile usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for clean nitrile 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):629-63-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :64678 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:3 |
| tetradecanenitrile |
| Chemidplus:0000629630 |