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nonyl acetate
Nonyl acetate is a waxy, fruity ester commonly used in flavor and fragrance applications, naturally found in various citrus oils and fruits.
General Material Description
Nonyl acetate is an organic ester with the molecular formula C11H22O2, known by several synonyms including pelargonyl acetate and acetic acid nonyl ester. This compound presents as a colorless liquid with characteristic waxy and fruity aromas, particularly those resembling tropical fruits and green notes. It is classified chemically as an acetate ester and is commonly referenced under controlled vocabularies such as ChEBI:87511. Nonyl acetate naturally occurs in various plant sources, notably within citrus fruit oils and other natural extracts. Its extraction or synthetic production allows utilization in flavor and fragrance industries where it imparts fruity, waxy nuances.
Occurrence, Applicability & Potential Uses
Nonyl acetate occurs naturally in multiple botanical sources including bergamot oil, blood orange oil, lime oil, and other citrus fruits, as well as in apple, melon, plum, and rue flower oils. Its presence in these natural materials underscores its contribution to characteristic fruit and floral odor profiles. It finds broad application primarily as a fragrance ingredient in cosmetic formulations such as skin-conditioning emollients and perfuming agents. Additionally, it is used as a flavoring agent, including in beer and various food products where fruity and waxy notes are desirable. The compound is subject to standards such as FEMA (US) guidelines that classify and regulate its use in flavor and fragrance formulations to ensure consistency and safety.
Physico-Chemical Properties Summary
Nonyl acetate is a moderately volatile ester with a molecular weight of approximately 186.29 g/mol. It exhibits a specific gravity near 0.86–0.87 at 20 to 25 °C, and a refractive index ranging between 1.421 and 1.425 at 20 °C. Its estimated logP value around 4.35 indicates lipophilicity, impacting solubility and partitioning in formulations. Solubility is notable in alcohols and certain glycols, with limited solubility in water (~10.87 mg/L at 25 °C estimated). The flash point is relatively high at 100 °C (212 °F), reflecting its moderate flammability risk. Nonyl acetate demonstrates stability in various product media, including creams, lotions, bath foams, and detergents, without significant discoloration. These characteristics influence its incorporation and performance in both cosmetic and flavor applications.
FAQ
What is nonyl acetate and what are its primary characteristics?
Nonyl acetate is an organic ester known for its waxy, fruity aroma with tropical and green fruit nuances. It is a colorless liquid commonly used in flavors and fragrances. Chemically, it contains 11 carbon atoms, 22 hydrogens, and 2 oxygens with the molecular formula C11H22O2. The compound is referenced under various synonyms including pelargonyl acetate and acetic acid nonyl ester. It naturally occurs in many citrus oils and fruits, contributing to their characteristic scent profiles.
Where does nonyl acetate naturally occur and how is it typically used in products?
Nonyl acetate is found in a variety of natural sources such as bergamot, blood orange, lime oils, apple, melon, plum, and rue flower oils. Its fruity and waxy aroma makes it valuable as a fragrance ingredient in cosmetic products like skin conditioners and perfumes. It is also employed as a flavoring agent, for example in beer and some food items, to enhance fruity and sweet notes. Regulatory frameworks like FEMA (US) guide its permitted usage levels in these applications.
What regulations and safety considerations apply to nonyl acetate in flavor and fragrance use?
Nonyl acetate is recognized under FEMA (US) as a generally safe flavoring substance within established limits. It has an oral and dermal LD50 exceeding 5000 mg/kg in animal studies, indicating low acute toxicity. Safety assessments by organizations such as the Research Institute for Fragrance Materials (RIFM) and IFRA (Global) provide recommended usage levels, currently up to 10% in fragrance concentrates. It shows no classification for hazards under OSHA standards. Precautionary measures advise avoiding contact with skin and eyes, and keeping it out of reach of children. Compliance with regional regulations, such as REACH (EU), is also relevant for industrial use.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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Literature & References
| nonyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 143-13-5 |
| Pubchem (cid): | 8918 |
| Pubchem (sid): | 134973594 |
| Flavornet: | 143-13-5 |
| Pherobase: | View |
| Publications by Info | |
| Volatile Flavor Components in Bogyojosaeng and Suhong Cultivars of Strawberry (Fragaria ananassa Duch.) | |
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): | HMDB40266 |
| FooDB: | FDB019984 |
| Export Tariff Code: | 2915.39.4550 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
General Material Information
| Preferred name | nonyl acetate |
| Trivial Name | Nonyl acetate |
| Short Description | pelargonyl acetate |
| Formula | C11 H22 O2 |
| CAS Number | 143-13-5 |
| FEMA Number | 2788 |
| Flavis Number | 9.008 |
| ECHA Number | 205-585-8 |
| FDA UNII | M2SE618B1L |
| Nikkaji Number | J10.621F |
| MDL | MFCD00027340 |
| COE Number | 198 |
| NMR Predictor | External link |
| JECFA Food Flavoring | 131 nonyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 143-13-5 ; NONYL ACETATE |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 186.29473876953 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.173 to 7.239 |
| Specific gravity | @ 20 °C |
| Pounds per Gallon | 7.189 to 7.256 |
| Refractive Index | 1.421 to 1.425 @ 20 °C |
| Acid Value | 1 max KOH/g |
| Vapor Pressure | 0.197 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 4.352 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, 10.87 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| bath foam | Unspecified |
| cream | Unspecified |
| detergent | Unspecified |
| hair spray | Unspecified |
| lotion | Unspecified |
| non-discoloring in most media | Unspecified |
Organoleptic Properties
| Odor Type: Waxy | |
| waxy, clean, green, fruit tropical fruit, sweet, fruity | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (1983) | At 100.00 %. waxy clean green tropical fruity |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | Sweet, waxy and fruity with a green, tropical fruit nuance |
| Flavor Type: Waxy | |
| fruity, waxy, fruit tropical fruit | |
| Mosciano, Gerard P&F 14, No. 6, 47, (1989) | At 20.00 ppm. Fruity and waxy with a tropical fruit background |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apricot , Clean linen , Coconut , Fruit , Fungus , Galbanum , Gardenia , Green , Lavender , Melon , Orange blossom , Peach , Petunia , Rose |
| Flavoring purposes | Beer |
| Other purposes | Emollients , Waxy |
| Cosmetic purposes | Perfuming agents , Skin conditioning - emollient |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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. 11, Pg. 95, 1973. | |
| Dermal Toxicity: | |
| skin-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 11, Pg. 95, 1973. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| cosmetic, 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 nonyl acetate usage levels up to: | |||
| 10.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 6.60 (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: | - | 3.10000 | |
| beverages(nonalcoholic): | - | 0.81000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.81000 | |
| fruit ices: | - | 0.81000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 1.90000 | |
| 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):143-13-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :8918 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| nonyl acetate |
| Chemidplus:0000143135 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:AJ1382500 for cas# 143-13-5 |