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cumin acetaldehyde
Cumin acetaldehyde is a green, earthy aromatic aldehyde used as a flavor and fragrance agent with chemical formula C11H14O.
General Material Description
Cumin acetaldehyde, known formally as p-Isopropylphenylacetaldehyde, is an aromatic aldehyde with the molecular formula C11H14O and molecular weight of approximately 162.23 g/mol. It appears as a colorless to pale liquid exhibiting a strong green, earthy, and aldehydic odor profile reminiscent of cumin and green foliage. This compound has multiple synonyms such as cortexal, homo cumin aldehyde, and cumyl acetaldehyde, reflecting its chemical and sensory characteristics. It is documented in chemical repositories such as PubChem (CID 61359). Sourced or synthesized for use in flavor and fragrance applications, cumin acetaldehyde contributes distinctive green and spicy notes. Its vapor pressure, solubility parameters, and physicochemical attributes facilitate formulation in various aroma products.
Occurrence, Applicability & Potential Uses
Cumin acetaldehyde occurs naturally in certain plant materials and is utilized prominently in flavor and fragrance formulations. In perfumery, it is valued for imparting green, bark, and earthy tones that mimic natural foliage and spices. The compound is recognized by standards such as FEMA (US), where it holds FEMA Number 2954, and it is characterized and reviewed by bodies including JECFA (FAO/WHO) with flavoring substance number 1024. Its applications extend to flavoring agents in food products where green and cumin-like notes are desired, including specific beverage and confectionery uses. The regulatory frameworks guide its safe use levels in fragrances and flavors to ensure consumer safety while allowing its functional contribution in sensory profiles.
Physico-Chemical Properties Summary
Cumin acetaldehyde exhibits a moderate boiling range between 230 and 243°C at atmospheric pressure and has a specific gravity near 0.995 at 25°C, indicating a density close to water. It presents a relatively low vapor pressure of approximately 0.02 mmHg at 20°C, contributing to its substantivity in formulations. The predicted logP value of about 3.05 suggests moderate lipophilicity, influencing its solubility and interaction with lipid or aromatic matrices. It is soluble in alcohol and very slightly soluble in water, which affects its usability in various product bases. The flash point, recorded near 200°F (approximately 93°C), indicates its flammability threshold relevant in handling and storage. Stability data suggest no unusual incompatibilities, but formulation with alkalis may merit consideration. Overall, these physicochemical properties provide essential data for the precise incorporation of cumin acetaldehyde in complex flavor and fragrance systems.
FAQ
What is cumin acetaldehyde and what are its sensory characteristics?
Cumin acetaldehyde, chemically known as p-Isopropylphenylacetaldehyde, is an aromatic aldehyde used in flavor and fragrance applications. It features a distinctive green and earthy aroma profile with aldehydic and cumin-like notes perceived strongly even in diluted solutions. The compound contributes green foliage and bark-like scents along with nuances reminiscent of fen and cumin cortex, making it valuable in simulating natural spicy and herbal odors.
Where does cumin acetaldehyde occur naturally and how is it used industrially?
This compound is found in certain plant sources and is typically produced for use in flavor and fragrance industries. Industrially, cumin acetaldehyde is incorporated into perfumes and flavor formulations to impart green, earthy, and spicy notes. It is added to beverages, confectionery, and aromatic products where such sensory attributes are desired. Regulatory standards such as FEMA (US) and JECFA provide guidance for its concentration to ensure appropriate and safe use in consumer products.
What are the safety regulations and guidelines for using cumin acetaldehyde?
Cumin acetaldehyde is managed under various safety and regulatory frameworks, including FEMA (US), IFRA (Global), and JECFA (FAO/WHO). It is classified as an irritant with precautionary guidelines to avoid skin and eye contact. Usage levels in fragrances are recommended up to 2% in concentrate per IFRA standards. Toxicological data indicate moderate oral and dermal LD50 values, and no severe hazard classifications under OSHA HCS. Safety data sheets recommend protective measures like gloves and eye protection during handling to mitigate irritation risks.
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 |
| HMDB (The Human Metabolome Database): | HMDB41493 |
| FooDB: | FDB021463 |
| ChemSpider: | View |
General Material Information
| Preferred name | cumin acetaldehyde |
| Trivial Name | p-Isopropylphenylacetaldehyde |
| Short Description | p-isopropylphenylacetaldehyde |
| Formula | C11 H14 O |
| CAS Number | 4395-92-0 |
| FEMA Number | 2954 |
| Flavis Number | 5.044 |
| ECHA Number | 224-522-5 |
| FDA UNII | 5KQW56W3YJ |
| Nikkaji Number | J14.563G |
| Beilstein Number | 2246668 |
| MDL | MFCD00217008 |
| COE Number | 132 |
| xLogP3-AA | 2.40 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1024 p-isopropylphenylacetaldehyde |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 4395-92-0 ; P-ISOPROPYLPHENYLACETALDEHYDE |
| Synonyms |
|
Suppliers
| BOC Sciences | Matrix Scientific |
| Synerzine |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 162.23178100586 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Boiling Point | 230 to 243°C @ 760 mm Hg |
| Vapor Pressure | 0.02 mmHg @ 20 °C |
| Flash Point TCC Value | 93.33 °C TCC |
| logP (o/w) | 3.054 est |
| Solubility | |
| alcohol | Yes |
| water, very slightly | Yes |
| water, 184 mg/L @ 25 °C (est) | Yes |
| water | No |
| Stability | |
| alkalis | Unspecified |
Organoleptic Properties
| Odor Type: Green | |
| earthy, aldehydic, cumin, green, cortex, foliage | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | 256 hour(s) at 100.00 % |
| Luebke, William tgsc, (1984) | At 10.00 % in dipropylene glycol. earthy fern aldehydic cumin green cortex |
| Flavor Type: Green | |
| green, foliage, privet, cortex, aldehydic, cumin, earthy, weedy | |
| Luebke, William tgsc, (1984) | Green foliage privet cortex aldehydic cumin earthy weedy |
Potential Uses
| Applications | |
| Odor purposes | Bark , Cortex , Cucumber , Earth , Fern , Foliage , Green , Green grass , Lemon , Melon , Orange , Privet , Woodruff |
| Flavoring purposes | Arrack , Lettuce |
| Other purposes | Leaf , Stem |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 22 - Harmful if swallowed. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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: | |
| 4 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 4100 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 1979. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 533, 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 cumin acetaldehyde usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.061 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.01 (μg/capita/day) | ||
| 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: | - | - | |
| beverages(nonalcoholic): | - | 0.10000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 0.50000 | |
| fruit ices: | - | 0.50000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 0.50000 | |
| 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): |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to: Flavouring Group Evaluation 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (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 |
| Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf |
| Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4395-92-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :61359 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 2-(4-propan-2-ylphenyl)acetaldehyde |
| Chemidplus:0004395920 |