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orange nitrile
Orange nitrile is a citrus-scented fragrance compound with freshwater and marine nuances, valued in perfumery for adding vibrant topnotes.
General Material Description
Orange nitrile, chemically known as 3-methyldodecanenitrile, is a nitrile compound characterized by the molecular formula C13H25N. It is recognized by the trifling handful of synonyms such as dodecanenitrile, 3-methyl- and the trade name Frescile (Givaudan). This material presents as a clear substance with a citrus odor profile marked by mandarine freshness and aldehydic notes, contributing to its usage primarily in fragrance applications. The compound is accessible via chemical synthesis methods and has a defined chemical structure linked in public databases such as PubChem CID 11970928. Its organoleptic features make it a valuable addition in compositions requiring vibrant, marine, and fresh citrus nuances.
Occurrence, Applicability & Potential Uses
While orange nitrile is not naturally abundant in biological sources, it finds application mainly as a fragrance agent in perfumery. It is employed to impart citrus, marine, and algae-like fresh topnotes within complex scent compositions. Its use is particularly advantageous in formulations demanding stability, such as those exposed to challenging conditions, where typical citrus notes may degrade. The compound can also serve as an enhancer or modifier for bergamot and green notes. According to IFRA (Global) standards, the recommended usage level in fragrance concentrates is up to 2% to maintain safety and efficacy. This regulation supports its role in creating long-lasting and distinctive citrus-inspired scents.
Physico-Chemical Properties Summary
Orange nitrile has a molecular weight of approximately 195.35 g/mol and a relatively high estimated LogP value around 5.1, indicating notable hydrophobicity. The compound boils within a narrow range of 284 to 285ºC at standard atmospheric pressure, reflecting a substantial atmospheric persistence. It exhibits extremely low vapor pressure at 0.003 mmHg at 25ºC, indicative of low volatility under ambient conditions. Orange nitrile is soluble in alcohol and to a limited extent in water, with an estimated water solubility around 0.94 mg/L at 25ºC. It has a flash point of 178ºC (TCC), suggesting safe handling under normal manufacturing environments. Proper storage involves a cool, dry place within tightly sealed containers protected from heat and light to prolong shelf life beyond 24 months. These physical and chemical properties influence its utility and stability in fragrance formulation and delivery.
FAQ
What is orange nitrile and what are its primary sensory characteristics?
Orange nitrile, or 3-methyldodecanenitrile, is a synthetic fragrance compound featuring a medium-strength citrus odor with distinctive mandarine freshness and aldehydic nuances. Sensory evaluations describe it as possessing citrus, green, marine, algae, and clean watery notes, making it suitable for enhancing aquatic and fresh scent profiles.
How is orange nitrile typically used, and in what contexts?
Orange nitrile is used primarily as a fragrance agent in perfuming formulations where stable citrus and marine topnotes are desirable. It functions effectively as an enhancer or modifier of other citrus notes such as bergamot and imparts green and oceanic characteristics. Its stability under challenging conditions makes it valuable in complex compositions requiring long-lasting freshness.
What regulations and safety guidelines apply to orange nitrile in fragrance use?
Regulatory bodies including IFRA (Global) have established usage guidelines for orange nitrile, with recommendations limiting its concentration to a maximum of 2% in fragrance concentrates. Toxicological data are limited, and no significant hazard classifications have been identified under OSHA HCS standards. It is not approved for flavor use. Proper handling and storage protocols are advised to maintain material integrity.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | 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: | 2926.90.0000 |
| ChemSpider: | View |
General Material Information
| Preferred name | orange nitrile |
| Trivial Name | 3-Methyldodecanenitrile |
| Short Description | frescile (Givaudan) |
| Formula | C13 H25 N |
| CAS Number | 85351-07-1 |
| ECHA Number | 286-729-7 |
| FDA UNII | Search |
| Nikkaji Number | J310.320J |
| xLogP3-AA | 5.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| Givaudan | Lluch Essence |
| Moellhausen | Vigon International |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 195.34924316406 |
| Boiling Point | 284 to 285°C @ 760 mm Hg |
| Vapor Pressure | 0.003 mmHg @ 25 °C |
| Flash Point TCC Value | 81.11 °C TCC |
| logP (o/w) | 5.115 est |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| water, 0.9404 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Citrus | |
| orange, green, marine, algae, watery, cloth laundered cloth, oily | |
| Odor strength | medium , recommend smelling in a 1.00 % solution or less |
| Substantivity | 140 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 1.00 % in dipropylene glycol. orange green sea algae watery clean cloths oily |
| Frescile has very powerful citrus zest note, with a mandarine freshness and shades of aldehydic character. A 10% dilution is recommended at 1 or 2% to support and enhance citrus and marine freshness. The neat material is used particularly in hostile applications, where the options such as stable citrus notes are more limited. | Aldehyde, Citrus, Mandarine |
| General comment | Aldehyde, Citrus, Mandarine |
Potential Uses
| Applications | |
| Odor purposes | Algae , Bergamot , Green , Ocean sea |
| Other purposes | Enhancer , Modifier , Topnotes |
| Cosmetic purposes | Perfuming agents |
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 orange nitrile usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Recommendation for orange 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):85351-07-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :11970928 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-methyldodecanonitrile |
| Chemidplus:0085351071 |