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octyl acetate
Octyl acetate is an ester known for its fruity and floral scent, widely used in flavor and fragrance applications.
General Material Description
Octyl acetate is a chemical ester with the molecular formula C10H20O2, classified as an acetic acid ester of 1-octanol. It appears as a clear liquid and possesses a medium-strength floral odor with waxy, fruity, and citrus notes. Known synonyms include acetate C-8, 1-octyl acetate, and caprylyl acetate among others. Its chemical identity is indexed under PubChem (CID 8164). Octyl acetate occurs naturally in oils extracted from citrus fruits such as bergamot, orange, grapefruit, as well as in apples, berries, and honey. It is commonly sourced commercially via esterification of octanol with acetic acid or obtained from natural essential oils where it is a minor but impactful component in aroma profiles.
Occurrence, Applicability & Potential Uses
Octyl acetate naturally occurs in various fruits and their juices, including apples, grapes, berries, and citrus species like bergamot, orange, and grapefruit. It is also found in certain essential oils such as lavender, frankincense, and rue, and in honey. This compound is applied primarily as a flavoring agent in foods like bakery products, nonalcoholic beverages, and beer, contributing fruity and floral notes. In perfumery, octyl acetate is used for imparting acacia, gardenia, citrus, and tea-like aroma facets. Usage guidelines adhere to recognized standards such as FEMA (US), which classifies it as Generally Recognized As Safe (GRAS) for flavoring purposes, and the IFRA Code of Practice (Global) that limits fragrance concentrate levels to ensure safety.
Physico-Chemical Properties Summary
Octyl acetate is a clear liquid at room temperature with a melting point between -38 and -37 °C and a boiling range from 206 to 211 °C at standard atmospheric pressure. It has a relatively high vapor density and a log P (octanol-water partition coefficient) estimated around 3.8, indicating moderate hydrophobicity. This influences its solubility, which is good in alcohols and fixed oils and limited in water, approximately 33 mg/L at 25 °C. Its refractive index ranges from 1.419 to 1.422 at 20 °C. The compound features an acid value not exceeding 1 KOH/g and has a flash point near 179 °F (about 82 °C), important for safe handling and formulation. Octyl acetate’s physicochemical profile supports its stability in various product matrices when stored under cool, dry conditions away from heat and light.
FAQ
What is octyl acetate and where is it found naturally?
Octyl acetate is an ester formed from acetic acid and 1-octanol, characterized by a fruity and floral odor. Naturally, it is present in a variety of fruits such as apples, grapes, and berries, and in citrus essential oils including bergamot, orange, and grapefruit. Its presence in these natural sources contributes to their characteristic aroma profiles.
How is octyl acetate used in industry and flavoring applications?
Industrially, octyl acetate serves as a flavoring agent enhancing the taste of baked goods, nonalcoholic beverages, and beer by imparting fruity and waxy notes. It is also employed in fragrance formulations to provide floral and citrus scents found in perfumes and personal care products. Its moderate volatility and stability make it suitable for various olfactory compositions.
What regulatory standards govern the use of octyl acetate in flavor and fragrance products?
Octyl acetate is regulated under FEMA (US) where it is listed as Generally Recognized As Safe (GRAS) for flavoring use. The IFRA (Global) Code of Practice limits its concentration in fragrance concentrates to 8%, ensuring consumer safety. Additionally, it is subject to classification as a flammable liquid with associated handling precautions according to OSHA HCS standards. Compliance with these guidelines ensures its safe application in consumer products.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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Literature & References
| octyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 112-14-1 |
| Pubchem (cid): | 8164 |
| Pubchem (sid): | 134975694 |
| Pherobase: | View |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB38602 |
| FooDB: | FDB017993 |
| YMDB (Yeast Metabolome Database): | YMDB01477 |
| Export Tariff Code: | 2915.39.9000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
General Material Information
| Preferred name | octyl acetate |
| Trivial Name | Octyl acetate |
| Short Description | acetic acid, octyl ester |
| Formula | C10 H20 O2 |
| CAS Number | 112-14-1 |
| FEMA Number | 2806 |
| ECHA Number | 203-939-6 |
| FDA UNII | X0FN2J413S |
| Nikkaji Number | J1.992E |
| Beilstein Number | 1754554 |
| MDL | MFCD00009562 |
| COE Number | 197 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 130 octyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 112-14-1 ; OCTYL ACETATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 172.26780700684 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.198 to 7.231 |
| Refractive Index | 1.419 to 1.422 @ 20 °C |
| Melting Point | -38 to -37°C @ 760 mm Hg |
| Boiling Point | 206 to 211°C @ 760 mm Hg |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.194 mmHg @ 25 °C |
| Vapor Density | 5.9 |
| Flash Point TCC Value | 81.67 °C TCC |
| logP (o/w) | 3.842 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 |
| fixed oils | Yes |
| water, 33.39 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Floral | |
| green, earthy, mushroom, herbal, waxy, fruity, apple | |
| Odor strength | medium |
| Substantivity | 16 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 100.00 %. green earthy mushroom herbal waxy |
| Flavor Type: Waxy | |
| waxy, fatty, cognac, winey, mushroom, citrus, citrus peel | |
| Luebke, William tgsc, (1982) | Waxy fatty cognac winey mushroom citrus citrus peel |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Acacia , Apple , Apricot , Chypre , Citrus , Fern , Fruit , Gardenia , Green , Jasmin , Neroli , Orange bitter orange peel , Orange blossom , Orris , Peach , Rose , Tea green tea |
| Flavoring purposes | Bakery , Beer , Orange bitter orange peel |
| 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 36 - Wear suitable protective clothing. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| Flammable liquids (Category 3), H226 Acute toxicity, Oral (Category 5), H303 | |
| GHS Label elements, including precautionary statements | |
| Pictogram |  |
| Signal word | Warning |
| Hazard statement(s) | |
| H226 - Flammable liquid and vapour H303 - May be harmfulif swallowed | |
| Precautionary statement(s) | |
| P210 - Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P233 - Keep container tightly closed. P240 - Ground/bond container and receiving equipment. P241 - Use explosion-proof electrical/ventilating/lighting/…/equipment. P242 - Use only non-sparking tools. P243 - Take precautionary measures against static discharge. P280 - Wear protective gloves/protective clothing/eye protection/face protection. P303 + P361 + P353 - IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. P312 - Call a POISON CENTER or doctor/physician if you feel unwell. P370 + P378 - In case of fire: Use appropriate media to extinguish. P403 + P235 - Store in a well-ventilated place. Keep cool. P501 - Dispose of contents/container in accordance with local/regional/national/international regulations. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 3000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 815, 1974. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 12, Pg. 815, 1974. | |
| 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 acetate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 83.00 (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. Update in publication number(s): 18 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 6.00000 | |
| beverages(nonalcoholic): | - | 1.60000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.87000 | |
| fruit ices: | - | 0.87000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 4.70000 | |
| 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 |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):112-14-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8164 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1993 |
| WGK Germany:2 |
| octyl acetate |
| Chemidplus:0000112141 |
| RTECS:AJ1400000 for cas# 112-14-1 |