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citronellyl ethoxalate
Citronellyl ethoxalate is an ester fragrance ingredient with a floral, lilac, and rose scent used primarily in perfuming agents.
General Material Description
Citronellyl ethoxalate is a synthetic ester characterized by the molecular formula C14H24O4. This compound manifests as a liquid with a moderate floral odor profile reminiscent of lily, muguet, rose, and lychee. It is also known under several synonyms including ethyl citronellyl oxalate and 1-(3,7-dimethyl-6-octen-1-yl) 2-ethyl ethanedioate. Citronellyl ethoxalate is referenced in chemical databases such as PubChem and ChEBI, facilitating its identification and research. It is primarily synthesized for use in fragrance development, sourced through chemical esterification processes involving citronellol or derivatives and oxalic acid esters. Its distinctive sensory qualities make it valuable for complex floral compositions.
Occurrence, Applicability & Potential Uses
While citronellyl ethoxalate is principally a synthetic fragrance ingredient, it mimics natural floral and fruity notes found in plants like lily of the valley and rose. Its application scope includes perfuming agents where its medium-strength, lasting floral aroma enhances the sensory appeal of cosmetics and personal care products. The compound is not used as a flavor additive. Regulatory frameworks such as the IFRA (Global) Code of Practice prescribe usage limits to ensure safety, currently recommending up to 10% concentration in fragrance concentrates. This ensures controlled application in consumer products, aligning with international safety requirements.
Physico-Chemical Properties Summary
Citronellyl ethoxalate exhibits physical and chemical properties conducive to fragrance formulation. It has a molecular weight of approximately 256.34 g/mol and a logP value near 4.3, indicating moderate lipophilicity, favoring solubility in alcohols. Specific gravity values range from about 0.969 to 0.978 at 25 °C, consistent with ester liquids. It boils between 320 and 321 °C at atmospheric pressure, reflecting thermal stability suitable for various processing conditions. Although practically insoluble in water, its limited solubility (6.857 mg/L at 25 °C estimated) does not impede its use in typical ethanol-based perfume matrices. The flash point is around 212 °F, denoting moderate flammability precautions during handling. Refractive index values near 1.446 to 1.45 at 20 °C assist in quality control during manufacturing.
FAQ
What is citronellyl ethoxalate and what are its main characteristics?
Citronellyl ethoxalate is a synthetic ester commonly used as a fragrance ingredient. It features a floral odor profile, including notes reminiscent of lily, rose, and lychee. The compound appears as a liquid with moderate odor strength and substantial substantivity, making it suitable for long-lasting fragrances. It is also known by various synonyms such as ethyl citronellyl oxalate and is structurally identified by the molecular formula C14H24O4.
Where is citronellyl ethoxalate typically used and how is it applied?
This compound is primarily employed in perfuming agents within cosmetic and personal care products to impart floral, lilac, and fruity aromas. Its physicochemical profile, including moderate lipophilicity and solubility in alcohol, makes it compatible with perfumery bases. It is not used for flavoring purposes. The substance’s long odor substantivity facilitates its application in formulations where sustained fragrance release is desired.
What safety and regulatory considerations apply to citronellyl ethoxalate?
Citronellyl ethoxalate is subject to fragrance industry regulations, notably under the IFRA Code of Practice (Global), which limits its use to a maximum of 10% in fragrance concentrates. Hazard classifications under OSHA’s hazard communication standards have not identified significant risks. Toxicity data such as oral, dermal, or inhalation effects remain largely undetermined, and no specific precautionary statements have been established. Manufacturers and formulators should consult current IFRA standards and safety assessments before use.
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: | 2917.11.0000 |
| ChemSpider: | View |
General Material Information
| Preferred name | citronellyl ethoxalate |
| Trivial Name | 1-(3,7-Dimethyl-6-octen-1-yl) 2-ethyl ethanedioate |
| Short Description | ethyl citronellyl oxalate |
| Formula | C14 H24 O4 |
| CAS Number | 60788-25-2 |
| ECHA Number | 262-433-3 |
| FDA UNII | Search |
| Nikkaji Number | J268.293A |
| xLogP3-AA | 4.40 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 256.3420715332 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 8.063 to 81.296 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 80.808 to 81.474 |
| Refractive Index | 1.446 to 1.45 @ 20 °C |
| Boiling Point | 320 to 321°C @ 760 mm Hg |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.3 |
| Solubility | |
| alcohol | Yes |
| water, 6.857 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| sweet, lily, muguet, rose, aldehydic, lychee, waxy | |
| Odor strength | medium |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1995) | At 100.00 %. sweet lily muguet rose aldehydic lychee waxy |
Potential Uses
| Applications | |
| Odor purposes | Floral , Lilac , Lily , Lily of the valley , Lychee , Musk , Rose , Rose tea rose , Strawberry |
| 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 citronellyl ethoxalate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Recommendation for citronellyl ethoxalate 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):60788-25-2 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :108515 |
| National Institute of Allergy and Infectious Diseases:Data |
| 1-O-(3,7-dimethyloct-6-enyl) 2-O-ethyl oxalate |
| Chemidplus:0060788252 |