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decyl formate
Decyl formate is an ester of formic acid known for its floral aroma resembling honeysuckle and orange blossom, primarily used as a fragrance compound.
General Material Description
Decyl formate, also known as formic acid, decyl ester or decyl methanoate, is a chemical compound classified as an ester with the molecular formula C11H22O2. It appears as a colorless liquid with a distinctive floral odor profile reminiscent of honeysuckle and orange blossom, making it valuable in fragrance applications. This compound is identified under several synonyms including DSM, 1-Decyl formate, and NSC 21821. Decyl formate can be sourced synthetically and is referenced in chemical databases such as PubChem. Its scent attributes and physicochemical properties influence its use in perfumery and flavoring, although it is predominantly applied in fragrances rather than as a flavor additive.
Occurrence, Applicability & Potential Uses
Decyl formate occurs primarily as a synthetic ester derived from formic acid and decanol. It is employed extensively within the fragrance industry due to its floral and fruity odor nuances, which include cherry, grape, neroli, plum, raspberry, and woodruff facets. The compound is recognized and regulated by the IFRA (Global) standards, which recommend usage levels up to 8 percent in fragrance concentrates to ensure safety compliance. While decyl formate contributes to complex olfactory profiles in perfumery, it is not approved for flavor use. Its applications are centered on enhancing scent compositions that imitate natural blossoms and fruits.
Physico-Chemical Properties Summary
Decyl formate has a molecular weight of approximately 186.29 g/mol and exhibits a specific gravity of 0.8751 at 25 °C. It boils between 105 and 109 °C at standard atmospheric pressure (760 mm Hg). The compound demonstrates low vapor pressure at 0.04 mm Hg measured at 25 °C, indicating limited volatility. Its estimated partition coefficient (logP) is about 4.45, reflecting moderate hydrophobicity and solubility mainly in alcohols but limited in water, with a water solubility estimated at roughly 12.14 mg/L at 25 °C. The flash point reported is 211 °F (approximately 99 °C), which is significant for handling and formulation safety. These properties affect its evaporation rate, stability, and blending behavior in fragrance compositions.
FAQ
What is decyl formate and what are its primary characteristics?
Decyl formate is an ester formed from formic acid and decanol, characterized by the molecular formula C11H22O2. It is a colorless liquid known for its floral odor reminiscent of honeysuckle and orange blossom. Its aromatic profile includes fruity and floral notes such as cherry, grape, and neroli. The compound is used primarily as a fragrance agent and possesses physicochemical properties such as moderate hydrophobicity, a boiling point around 105 to 109 °C, and limited water solubility.
How is decyl formate used, and where does it typically occur in applications?
Decyl formate is mainly found in synthetic fragrance formulations where it contributes floral and fruity nuances. Its usage is restricted to fragrance concentrates due to its potent odor profile and regulatory guidance. The compound is not typically found naturally but is produced for perfumery purposes. Within formulations, it enhances scents evoking blossoms and fruits like honeysuckle and orange blossom, alongside others such as plum and raspberry, making it valuable for crafting complex perfume accords.
What regulations govern the use of decyl formate and where can it be sourced safely?
The International Fragrance Association (IFRA, Global) regulates decyl formate, specifying usage limits up to 8 percent in fragrance concentrates to ensure safety. It is not authorized for use as a flavoring agent. Reliable sourcing of decyl formate is often through chemical suppliers that comply with safety and quality standards. Safety data indicate no classified hazards under OSHA HCS regulations, but handling should follow standard precautions for esters. Information about this compound is accessible in chemical databases such as ECHA (EU) and PubChem.
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.13.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | decyl formate |
| Trivial Name | Formic acid, decyl ester |
| Short Description | formic acid, decyl ester |
| Formula | C11 H22 O2 |
| CAS Number | 5451-52-5 |
| ECHA Number | 226-682-1 |
| FDA UNII | I3X2P7V6YF |
| Nikkaji Number | J210.497K |
| COE Number | 532 |
| xLogP3-AA | 4.60 (est) |
| NMR Predictor | External link |
| Synonyms |
|
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 186.29473876953 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 105 to 109°C @ 760 mm Hg |
| Vapor Pressure | 0.04 mmHg @ 25 °C |
| Flash Point TCC Value | 99.44 °C TCC |
| logP (o/w) | 4.453 est |
| Solubility | |
| alcohol | Yes |
| water, 12.14 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Floral | |
| honeysuckle, orangeflower | |
| General comment | At 100.00 %. honeysuckle orange blossom |
Potential Uses
| Applications | |
| Odor purposes | Cherry , Grape , Honeysuckle , Neroli , Orange blossom , Plum , Raspberry , Woodruff |
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 decyl formate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for decyl formate 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):5451-52-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :79541 |
| National Institute of Allergy and Infectious Diseases:Data |
| decyl formate |
| Chemidplus:0005451525 |