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3-hexenal
General Material Information
| Preferred name | 3-hexenal |
| Trivial Name | 3-Hexenal |
| Short Description | (Z+E)-3-hexenal |
| Formula | C6 H10 O |
| CAS Number | 4440-65-7 |
| Flavis Number | 5.192 |
| ECHA Number | 224-659-0 |
| FDA UNII | 3300F8DZ5A |
| COE Number | 5192 |
| xLogP3-AA | 1.10 (est) |
| NMR Predictor | External link |
| JECFA Food Flavoring | 1271 3-hexenal |
| FDA Mainterm | 4440-65-7 ; 3-HEXENAL |
| Synonyms |
|
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): | HMDB31497 |
| FooDB: | FDB008083 |
| Export Tariff Code: | 3302.90.0050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
| Bedoukian Research | BOC Sciences |
| M&U International | Parchem |
| Penta International | M&U International LLC |
| Penta International Corporation | Taytonn ASCC |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 98.144897460938 |
| Boiling Point | 127 to 128°C @ 760 mm Hg |
| Vapor Pressure | 11.202 mmHg @ 25 °C |
| Vapor Density | 1 |
| Flash Point TCC Value | 57.22 °C TCC |
| logP (o/w) | 1.432 est |
| Solubility | |
| alcohol | Yes |
| water, 5261 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Green | |
| leafy, green, tomato, melon, apple, sharp, vegetable, tropical | |
| Odor strength | high , recommend smelling in a 1.00 % solution or less |
| Substantivity | > 4 hour(s) at 100.00 % |
| General comment | At 1.00 % in dipropylene glycol. leafy green stem tomato melon apple |
| Mosciano, Gerard P&F 25, No. 5, 72, (2000) | At 1.00 %. Sharp penetrating leafy green, vegetative stemmy with unripe tomato, melon and tropical nuances |
| Flavor Type: Green | |
| aromatic, green, waxy, vegetable, melon, tomato, cinnamon, spicy | |
| Mosciano, Gerard P&F 25, No. 5, 72, (2000) | At 1.00 - 10.00 ppm. Strong, aromatic green, with waxy vegatative green melon and tomato nuances. And a hint of cinnamon spice |
| Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables. | Sharp, green, grassy |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Banana , Celery , Ginger , Green , Guava , Mandarin , Melon , Raspberry , Strawberry |
| Flavoring purposes | Tomato , Tropical |
| Other purposes | Feyoa |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| 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. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 3000 mg/kg Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables. | |
| Dermal Toxicity: | |
| Not determined | |
| 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 3-hexenal usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 24.70 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 53.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 19 | |||
| Click here to view publication 19 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 4.00000 | 7.00000 | |
| beverages(nonalcoholic): | 1.00000 | 3.00000 | |
| beverages(alcoholic): | 0.20000 | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 3.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | 3.50000 | 5.00000 | |
| 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 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf |
| Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):4440-65-7 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :23234 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1989 |
| WGK Germany:2 |
| hex-3-enal |
| Chemidplus:0004440657 |