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hexanal (aldehyde C-6)
Hexanal is a six-carbon aldehyde known for its green, grassy aroma used widely in flavors and fragrances.
General Material Description
Hexanal, also named aldehyde C-6 or caproic aldehyde, is an aliphatic aldehyde with molecular formula C6H12O and a molecular weight of approximately 100.16 g/mol. It appears as a colorless liquid known for its characteristic fresh, green, and grassy odor profile. This compound is widely recognized for imparting leafy, fruity, and slightly fatty notes reminiscent of freshly cut grass and unripe fruit. Hexanal has numerous synonyms including n-hexanal and capronaldehyde, reflecting its chemical structure and natural occurrence. It is naturally present in many fruits, vegetables, and essential oils, including apple, banana, basil, orange, and rose oils. Hexanal is commonly sourced via extraction from natural products or synthesized for use in flavor and fragrance industries. Further details about its structure and taxonomy are accessible through controlled vocabularies such as ChEBI.
Occurrence, Applicability & Potential Uses
Hexanal occurs naturally in a wide range of plant materials, fruits, and essential oils, including apple, basil, orange, rose, and guava among others. It is a significant contributor to fresh green and fruity aromas in these natural sources. Due to its distinct odor and flavor characteristics, hexanal finds extensive use in flavoring formulations for confectionery, beverages, baked goods, and savory products. It also serves as an important fragrance component in perfumes and cosmetics, lending aldehydic, green, and fresh notes. Regulatory oversight such as FEMA (US) governs its safe level of use in food flavorings. Hexanal's applications extend to enhancing notes in green, fruity, herbal, and citrus profiles, as well as in flavoring certain vegetables, fish, and tea. The IFRA (Global) Code of Practice provides guidelines for maximum use levels in fragrance formulations to ensure consumer safety.
Physico-Chemical Properties Summary
Hexanal is a volatile liquid with a boiling point between 130 and 131°C at atmospheric pressure. It has a specific gravity ranging from 0.812 to 0.822 at 25°C and a refractive index between 1.399 and 1.409 at 20°C. Its vapor pressure at 25°C is approximately 10.9 mmHg, indicating moderate volatility. Hexanal's low water solubility contrasts with good solubility in alcohol, propylene glycol, and fixed oils, making it versatile in various formulation media. With a log P value near 1.78, it demonstrates moderate lipophilicity. The flash point is around 32°C, classifying it as flammable and necessitating careful handling. These physical and chemical attributes influence hexanal's performance and stability in flavor and fragrance products, and dictate safety precautions in manufacturing and storage.
FAQ
What is hexanal (aldehyde C-6) and what are its main characteristics?
Hexanal, also known as aldehyde C-6, is an aliphatic aldehyde with the molecular formula C6H12O. It is characterized by its clear, colorless liquid state and a strong green, grassy odor reminiscent of fresh-cut grass and unripe fruits. This compound is widely used as a flavor and fragrance ingredient due to its ability to impart fresh, leafy, and fruity notes. It naturally occurs in many fruits, vegetables, and essential oils such as apple, orange, basil, and rose.
Where does hexanal naturally occur and how is it typically used?
Hexanal is found naturally in various fruits like apples, bananas, and guava, as well as in essential oils from plants such as basil, bergamot, and rose. Its green and aldehydic aroma qualities make it valuable in flavoring food products including baked goods, beverages, and confectionery. Additionally, it is used in perfumery and cosmetic formulations to add fresh, green notes. Usage levels are typically controlled and guided by regulatory standards like FEMA (US) and IFRA (Global) to assure safety and efficacy.
What regulations and safety information apply to hexanal in flavor and fragrance applications?
Hexanal is regulated under frameworks such as FEMA (US) and IFRA (Global), which specify maximum usage levels to ensure consumer safety. It is classified as flammable and an irritant to eyes, skin, and respiratory system, requiring precautionary measures such as avoiding contact and sources of ignition during handling. Toxicological data indicate moderate acute toxicity, with defined oral and inhalation exposure limits in animal studies. Safety data sheets and fragrance material safety assessments are available to guide its safe use in flavors and fragrances.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| hexanal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 66-25-1 |
| Pubchem (cid): | 6184 |
| Pubchem (sid): | 134972785 |
| Flavornet: | 66-25-1 |
| 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 |
| KEGG (GenomeNet): | C02373 |
| HMDB (The Human Metabolome Database): | HMDB05994 |
| FooDB: | FDB008068 |
| YMDB (Yeast Metabolome Database): | YMDB01759 |
| Export Tariff Code: | 2912.19.5000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: •grades or purity: 99+%; commercial •grades: technical | |
General Material Information
| Preferred name | hexanal (aldehyde C-6) |
| Trivial Name | hexanal |
| Short Description | caproic aldehyde |
| Formula | C6 H12 O |
| CAS Number | 66-25-1 |
| FEMA Number | 2557 |
| Flavis Number | 5.008 |
| ECHA Number | 200-624-5 |
| FDA UNII | 9DC2K31JJQ |
| Nikkaji Number | J1.409E |
| Beilstein Number | 0506198 |
| MDL | MFCD00007027 |
| COE Number | 96 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 92 hexanal |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 66-25-1 ; HEXANAL |
| Synonyms |
|
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 100.16084289551 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 6.757 to 6.84 |
| Refractive Index | 1.399 to 1.409 @ 20 °C |
| Boiling Point | 130 to 131°C @ 760 mm Hg |
| Acid Value | 7 max KOH/g |
| Vapor Pressure | 10.888 mmHg @ 25 °C |
| Vapor Density | 1.01 |
| Flash Point TCC Value | 32.22 °C TCC |
| logP (o/w) | 1.78 |
| Solubility | |
| alcohol | Yes |
| fixed oils | Yes |
| propylene glycol | Yes |
| water, 5640 mg/L @ 30 °C (exp) | Yes |
| water | No |
| Stability | |
| cream | Unspecified |
| deodorant | Unspecified |
| detergent | Unspecified |
| hair spray | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| fresh, green, fatty, aldehydic, grassy, leafy, fruity, sweaty, vegetable, clean, woody | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1982) | At 1.00 % in dipropylene glycol. fresh green fatty aldehydic grass leafy fruity sweaty |
| Mosciano, Gerard P&F 22, No. 6, 41, (1997) | At 2.00 %. Green, fatty, leafy, vegetative, fruity and clean with a woody nuance |
| Flavor Type: Green | |
| green, woody, vegetable, apple, grassy, citrus, orange, fresh | |
| Mosciano, Gerard P&F 22, No. 6, 41, (1997) | At 2.50 ppm. Green, woody, vegetative, apple, grassy, citrus and orange with a fresh, lingering aftertaste |
| An extremely versatile material. In dilution it is used in many fruit and vegetable flavors as well as butter and rum. | Green |
| General comment | Leafy, fruity, green apple like |
| HEXANAL adds a freshly cut grass and unripe effect to fruit and vegetable flavors. | Classic aldehyde notes green grassy sharp unripe or raw fruit and green vegetable |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Aldehydic , Apple , Apricot , Banana , Berry , Cherry , Coconut , Coffee , Cranberry , Cucumber , Currant red currant , Fruit , Green , Herbal , Lime , Mandarin , Melon , Orange , Peanut , Pine forest , Pine needle , Plum , Saffron , Strawberry , Tangerine , Tobacco |
| Flavoring purposes | Carrot , Fish , Pine needle , Tea , Tomato |
| Other purposes | Grass |
| Cosmetic purposes | Fragrance |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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 36/37/39 - Wear suitable clothing, 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: | |
| 1 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4890 mg/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. oral-mouse LD50 8292 mg/kg BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Yukagaku. Oil Chemistry. Vol. 26, Pg. 169, 1977. oral-mammal (species unspecified) LD50 3700 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| inhalation-rat TCLo 2000 ppm/4H AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954. | |
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 hexanal (aldehyde C-6) usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Structure Class: | I | ||
| 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: | - | 4.20000 | |
| beverages(nonalcoholic): | - | 1.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 3.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 2.80000 | |
| fruit ices: | - | 2.80000 | |
| gelatins / puddings: | 2.00000 | 2.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 3.60000 | |
| 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 Authority (EFSA) reference(s): |
| Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission View page or View pdf |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 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 |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):66-25-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :6184 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1207 |
| WGK Germany:1 |
| hexanal |
| Chemidplus:0000066251 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:MN7175000 for cas# 66-25-1 |