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octyl formate
Octyl formate is a colorless ester with a medium fruity odor used widely as a flavoring and fragrance agent in the food and cosmetic industries.
General Material Description
Octyl formate, also known as formic acid, octyl ester, is a clear, colorless chemical compound belonging to the class of esters. It exhibits a distinctive medium-strength fruity odor reminiscent of apricot and citrus notes, combined with a green, oily flavor character. The molecular formula is C9H18O2, consistent with its composition as an ester of formic acid and octanol. It is referenced under various synonyms such as 1-octyl formate and octyl methanoate. This compound is documented in controlled chemical vocabularies like PubChem (CID 8176). Source-wise, octyl formate may be synthesized chemically for use as a flavor and fragrance additive and can be found naturally in trace amounts in certain plant oils. Its application extends primarily to food flavoring and perfuming agents where its sensory profile contributes to complex aroma formulations.
Occurrence, Applicability & Potential Uses
Octyl formate occurs naturally in minute quantities in some essential oils such as Heracleum paphlagonicum fruit oil. Applied primarily within flavor and fragrance sectors, it serves to impart fruity, citrus, and floral notes such as apricot, peach, and rose aromas in consumer products. Regulatory assessments from FEMA (US) classify octyl formate under number 2809 as generally recognized as safe for flavor use. It also complies with the IFRA Code of Practice (Global), which recommends usage levels up to 2.0% in fragrance concentrates. Potential uses include enhancing flavors in food products and acting as a perfuming agent in cosmetics, contributing to olfactory complexity and formulation stability.
Physico-Chemical Properties Summary
Octyl formate has a molecular weight of approximately 158.24 g/mol and displays physical characteristics appropriate for flavor and fragrance use. It is a colorless liquid with a boiling point near 198 to 199 °C at atmospheric pressure and substantially lower boiling under reduced pressure. Its refractive index at 20 °C ranges between 1.4155 to 1.4195, indicative of its purity and optical properties. The compound exhibits moderate volatility with a vapor pressure of 0.339 mmHg at 25 °C, impacting its diffusion and scent release. It is soluble in fixed and paraffin oils as well as propylene glycol, and slightly soluble in water (~113.8 mg/L at 25 °C), but insoluble in glycerin. The estimated log P value of 3.434 suggests moderate lipophilicity, which affects its behavior in formulations. The flash point measured at 171 °F (approx. 77 °C) underlines the need for careful handling during processing.
FAQ
What is octyl formate and what are its main characteristics?
Octyl formate is a chemical ester formed from formic acid and octanol, known for its fruity and green aroma profile. It appears as a colorless liquid commonly used in flavor and fragrance formulations. Its sensory attributes include medium fruity notes reminiscent of apricot or orange, coupled with green and citrusy nuances. The compound is referenced with synonyms including formic acid octyl ester and octyl methanoate, possesses the molecular formula C9H18O2, and has moderate volatility and solubility characteristics relevant to its use.
Where does octyl formate naturally occur and how is it used industrially?
Octyl formate occurs naturally in trace amounts within certain essential oils such as Heracleum paphlagonicum fruit oil. Industrially, it is synthesized and incorporated predominantly as a flavoring agent to provide fruity and floral notes in foods and beverages. Additionally, it is utilized as a perfuming agent in cosmetic products, where its distinctive scent characteristics enhance fragrance blends. Its use is regulated and recommended for specific maximum concentrations to ensure product safety and efficacy.
What safety standards and regulatory guidelines govern the use of octyl formate?
Octyl formate is recognized as safe for use in food flavorings by the FEMA Expert Panel (US) under FEMA number 2809 and is subject to the IFRA Code of Practice (Global), which governs fragrance ingredient usage levels—permitting up to 2.0% concentration in fragrance concentrates. The compound has been evaluated for toxicity with high oral and dermal LD50 values indicating low acute toxicity. It carries risk phrases related to irritation (skin and eyes) per European classifications, and appropriate safety precautions such as avoiding eye and skin contact are advised. Regulatory evaluations from EFSA in Europe and inclusion in food additive databases further guide its approved uses.
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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB38603 |
| FooDB: | FDB017994 |
| Export Tariff Code: | 2915.13.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | octyl formate |
| Trivial Name | Octyl formate |
| Short Description | formic acid, octyl ester |
| Formula | C9 H18 O2 |
| CAS Number | 112-32-3 |
| FEMA Number | 2809 |
| Flavis Number | 9.075 |
| ECHA Number | 203-959-5 |
| FDA UNII | 2XZ47CUU7G |
| Nikkaji Number | J69.829F |
| Beilstein Number | 1755259 |
| MDL | MFCD00046147 |
| COE Number | 342 |
| xLogP3-AA | 3.50 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 122 octyl formate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 112-32-3 ; OCTYL FORMATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 158.24085998535 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.256 to 7.289 |
| Refractive Index | 1.4155 to 1.4195 @ 20 °C |
| Boiling Point | 87 to 89°C @ 20 mm Hg |
| Boiling Point | 198 to 199°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.339 mmHg @ 25 °C |
| Flash Point TCC Value | 77.22 °C TCC |
| logP (o/w) | 3.434 est |
| Solubility | |
| fixed oils | Yes |
| paraffin oil | Yes |
| propylene glycol | Yes |
| water, 113.8 mg/L @ 25 °C (est) | Yes |
| glycerin | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, rose, orange, waxy, cucumber | |
| Odor strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1988) | At 100.00 %. fruity rose orange waxy cucumber |
| Flavor Type: Green | |
| green, oily, orange, cilantro, waxy, citrus | |
| Luebke, William tgsc, (1988) | Green oily orange cilantro waxy citrus |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apricot , Citrus , Orris , Peach , Rose , Valerian |
| Flavoring purposes | Valerian |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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. | |
| Human Experience: | |
| 2 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 883, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 883, 1979. | |
| 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 octyl formate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.14 (μg/capita/day) | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 7.00000 | |
| beverages(nonalcoholic): | 0.01000 | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 1.00000 | |
| fruit ices: | - | 1.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):112-32-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8176 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| octyl formate |
| Chemidplus:0000112323 |
| RTECS:LQ9290000 for cas# 112-32-3 |