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propyl tiglate
Propyl tiglate is an ester compound with a green, fruity odor used as a flavor and fragrance agent.
General Material Description
Propyl tiglate is an ester derived from 2-butenoic acid, specifically 2-methylbut-2-enoate, with the molecular formula C8H14O2. It appears as a colorless liquid exhibiting a characteristic green, seedy apple-like fruity odor at typical dilution levels, commonly evaluated at 1.00 % concentration in dipropylene glycol. Known also by synonyms such as propyl (E)-2-methylbut-2-enoate and propyl 2-methyl crotonate, it is recognized in various chemical databases including PubChem. This compound is typically obtained via esterification reactions involving tiglic acid and propanol. Its distinct sensory properties make it valuable in both flavor and fragrance formulations.
Occurrence, Applicability & Potential Uses
Propyl tiglate occurs as an ester in natural and synthetic flavor and fragrance preparations. It contributes green, floral, fruity, and herbal nuances to aromatic profiles, often employed for tropical flavor enhancements. Its usage is regulated under IFRA (Global) standards, with a recommended maximum concentration of 2.0 % in fragrance concentrates to ensure safety and efficacy. Given its moderate volatility and pleasant scent, it finds application in perfumes, cosmetic fragrances, and food flavoring agents. The compound's green and fruity characteristics provide versatility in complex blends aimed at replicating natural aromas.
Physico-Chemical Properties Summary
Propyl tiglate is a moderately volatile ester with a boiling range of approximately 176 to 180 °C at standard atmospheric pressure. It has a specific gravity near 0.904 at 25 °C and a vapor pressure of 1.39 mmHg under the same conditions, indicating moderate evaporation rates suitable for aroma applications. Its estimated logP value around 2.9 reflects moderate lipophilicity, facilitating solubility in organic solvents, including alcohol, while being sparingly soluble in water. The flash point is about 58 °C (137 °F), implying standard handling precautions in formulations. These physical and chemical properties influence its performance in fragrance delivery and flavor stability.
FAQ
What is propyl tiglate and what are its main characteristics?
Propyl tiglate is an ester compound chemically identified as propyl (E)-2-methylbut-2-enoate with formula C8H14O2. It exhibits a green, fruity odor reminiscent of seedy apple and is commonly used in flavor and fragrance compositions. It appears as a colorless liquid with moderate volatility and solubility in alcohol.
How and where is propyl tiglate used in industry?
Propyl tiglate is utilized primarily as a flavor and fragrance ingredient to impart green, floral, herbal, and tropical fruit notes. It is incorporated into perfumes, cosmetic products, and food flavorings. Its presence enhances aroma complexity and freshness in these applications. Usage follows guidance from IFRA (Global) standards to maintain safe concentrations in consumer products.
What regulations govern the usage of propyl tiglate and where can it be sourced?
This compound is regulated under the International Fragrance Association (IFRA) Code of Practice, with recommended maximum usage levels up to 2.0 % in fragrance concentrates. It is also registered under REACH (EU) with specific safety data. Propyl tiglate can be sourced from chemical suppliers specializing in flavor and fragrance materials, often supplied in purified form for formulation 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 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | propyl tiglate |
| Trivial Name | Propyl tiglate |
| Short Description | 2-butenoic acid, 2-methyl-, propyl ester, (2E)- |
| Formula | C8 H14 O2 |
| CAS Number | 61692-83-9 |
| ECHA Number | 262-906-4 |
| FDA UNII | Search |
| Nikkaji Number | J107.435K |
| MDL | MFCD00016642 |
| xLogP3-AA | 2.20 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| BOC Sciences | Ernesto Ventós |
| Penta International | Synerzine |
| Penta International Corporation | Ernesto Ventós S.A. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 142.19798278809 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 176 to 180°C @ 760 mm Hg |
| Vapor Pressure | 1.39 mmHg @ 25 °C |
| Flash Point TCC Value | 58.33 °C TCC |
| logP (o/w) | 2.931 est |
| Solubility | |
| alcohol | Yes |
| water, 430.2 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| green, seedy, apple, fruity | |
| General comment | At 1.00 % in dipropylene glycol. green seedy apple fruity |
Potential Uses
| Applications | |
| Odor purposes | Floral , Fruit , Green , Herbal |
| Flavoring purposes | Tropical |
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: | |||
| flavor and 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 propyl tiglate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
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 :5367762 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3272 |
| WGK Germany:3 |
| propyl (E)-2-methylbut-2-enoate |
| Chemidplus:0061692839 |