| Name: | (E)-oct-6-enal |
| CAS Number: | 63196-63-4 |  3D/inchi
|
| FDA UNII: | 3VW06N840Z |
| Nikkaji Web: | J1.988.525I |
| Beilstein Number: | 1850962 |
| CoE Number: | 664 |
| XlogP3-AA: | 1.90 (est) |
| Molecular Weight: | 126.19878000 |
| Formula: | C8 H14 O |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
| EFSA/JECFA Comments: |
| Mixture of (Z)- and (E)- isomers (EFFA, 2010a). Composition of stereoisomeric mixture to be specified.
Mixture of (Z)- and (E)-isomers (EFFA, 2010), 50-70 % E-form and 30-50 % Z-form (EFFA, 2013a). |
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00
|
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.84200 to 0.84800 @ 25.00 °C.
|
| Pounds per Gallon - (est).: | 7.006 to 7.056
|
| Refractive Index: | 1.43300 to 1.43900 @ 20.00 °C.
|
| Boiling Point: | 171.00 to 172.00 °C. @ 760.00 mm Hg
|
| Vapor Pressure: | 1.352000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 121.00 °F. TCC ( 49.44 °C. )
|
| logP (o/w): | 2.525 (est) |
| Soluble in: |
| | alcohol | | | water, very slightly | | | water, 612.7 mg/L @ 25 °C (est) |
| Insoluble in: |
| | water |
Organoleptic Properties:
| Odor Type: green |
| green melon |
| Odor Description:at 0.10 % in propylene glycol. green melon |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
Safety Information:
| |
| 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: |
|
Not determined
|
| 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 |
| |
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0012 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 1600 (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: 27 |
| Click here to view publication 27 |
| | average usual ppm | average maximum ppm |
| baked goods: | 0.10000 | 1.00000 |
| beverages(nonalcoholic): | 0.03000 | 0.30000 |
| beverages(alcoholic): | 0.03000 | 0.30000 |
| breakfast cereal: | - | - |
| cheese: | 0.10000 | 1.00000 |
| chewing gum: | 0.10000 | 1.00000 |
| condiments / relishes: | - | - |
| confectionery froastings: | 0.10000 | 1.00000 |
| egg products: | 0.05000 | 0.10000 |
| fats / oils: | 0.03000 | 0.50000 |
| fish products: | - | - |
| frozen dairy: | 0.10000 | 1.00000 |
| fruit ices: | - | - |
| gelatins / puddings: | 0.10000 | 1.00000 |
| granulated sugar: | - | - |
| gravies: | 0.02000 | 0.50000 |
| hard candy: | 0.05000 | 1.00000 |
| imitation dairy: | 0.10000 | 1.00000 |
| instant coffee / tea: | 0.03000 | 0.50000 |
| jams / jellies: | - | - |
| meat products: | - | - |
| milk products: | 0.20000 | 2.00000 |
| nut products: | 0.05000 | 0.20000 |
| other grains: | - | - |
| poultry: | - | - |
| processed fruits: | - | - |
| processed vegetables: | - | - |
| reconstituted vegetables: | - | - |
| seasonings / flavors: | 0.05000 | 0.50000 |
| snack foods: | - | - |
| soft candy: | 0.10000 | 1.00000 |
| soups: | 0.02000 | 0.50000 |
| sugar substitutes: | - | - |
| sweet sauces: | 0.10000 | 1.00000 |
| |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). |
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. |
| | average usage mg/kg | maximum usage mg/kg |
| Dairy products, excluding products of category 02.0 (01.0): | 3.00000 | 15.00000 |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 2.00000 | 10.00000 |
| Edible ices, including sherbet and sorbet (03.0): | 3.00000 | 15.00000 |
| Processed fruit (04.1): | 2.00000 | 10.00000 |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - |
| Confectionery (05.0): | 4.00000 | 20.00000 |
| Chewing gum (05.3): | - | - |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 2.00000 | 10.00000 |
| Bakery wares (07.0): | 5.00000 | 25.00000 |
| Meat and meat products, including poultry and game (08.0): | 1.00000 | 5.00000 |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 1.00000 | 5.00000 |
| Eggs and egg products (10.0): | - | - |
| Sweeteners, including honey (11.0): | - | - |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 2.00000 | 10.00000 |
| Foodstuffs intended for particular nutritional uses (13.0): | 3.00000 | 15.00000 |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 2.00000 | 10.00000 |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 4.00000 | 20.00000 |
| Ready-to-eat savouries (15.0): | 5.00000 | 25.00000 |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 2.00000 | 10.00000 |
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 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
|
Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - 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 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
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Scientific Opinion on Flavouring Group Evaluation 06, Revision 2 (FGE.06Rev2): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 06, Revision 3 (FGE.06Rev3): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
|
Scientific Opinion on Flavouring Group Evaluation 06, Revision 4 (FGE.06Rev4): Straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids and esters from chemical groups 1, 3 and 4
View page or View pdf
|
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :5283328 |
| National Institute of Allergy and Infectious Diseases:Data |
| (E)-oct-6-enal |
| Chemidplus:0063196634 |
References:
Other Information:
Potential Blenders and core components note
Potential Uses:
Occurrence (nature, food, other): note
Synonyms:
| (E)- | oct-6-enal | | (E)-6- | octen-1-al | | trans-6- | octenal |
Articles:
| Google Patents:Method for producing high-purity terminal olefin compound |
| PubMed:An experimental study of the gas-phase reactions of NO3 radicals with a series of unsaturated aldehydes: trans-2-hexenal, trans-2-heptenal, and trans-2-octenal. |
| PubMed:Molecular characterization, expression analysis, and role of ALDH3B1 in the cellular protection against oxidative stress. |
| PubMed:Comparison of tomatillo and tomato volatile compounds in the headspace by selected ion flow tube mass spectrometry (SIFT-MS). |
| PubMed:Volatile composition of Catharanthus roseus (L.) G. Don using solid-phase microextraction and gas chromatography/mass spectrometry. |
| PubMed:Toxic oxygenated alpha,beta-unsaturated aldehydes and their study in foods: a review. |
| PubMed:1,N6-etheno-2'-deoxyadenosine adducts from trans, trans-2,4-decadienal and trans-2-octenal. |
| PubMed:Novel 1,N(6)-etheno-2'-deoxyadenosine adducts from lipid peroxidation products. |
| PubMed:Determination of aldehydes and other lipid peroxidation products in biological samples by gas chromatography-mass spectrometry. |
| PubMed:Activation of phosphoinositide-specific phospholipase C of rat neutrophils by the chemotactic aldehydes 4-hydroxy-2,3-trans-nonenal and 4-hydroxy-2,3-trans-octenal. |
| PubMed:Effect of 4-hydroxy-2,3-trans-nonenal and related aldehydes on phospholipase C activity of rat neutrophils. |
| PubMed:[Co-oxydation of linoleic acid to volatile compounds by lipoxygenase isoenzymes from soya beans (author's transl)]. |
| PubMed:[Enzymatic breakdown of linoleic acid hydroperoxides to volatile carbonyl compounds by isomerase from barley (author's transl)]. |
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