EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(E)-6-octenal
trans-6-octenal

Supplier Sponsors

Name:(E)-oct-6-enal
CAS Number: 63196-63-4Picture of molecule3D/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 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:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:2240 trans-6-octenal
FLAVIS Number:05.061 (Old)
DG SANTE Food Flavourings:05.061 (E)-oct-6-enal
FEMA Number:4787 trans-6-octenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 6-OCTENAL
 
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 mm/Hg @ 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
Odor Strength:high ,
recommend smelling in a 0.10 % solution or less
green melon
Odor Description:at 0.10 % in propylene glycol. green melon
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Aston Chemical
For experimental / research use only.
6-Octenal, (6E)-
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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
 
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
 average usual ppmaverage maximum ppm
baked goods: 0.100001.00000
beverages(nonalcoholic): 0.030000.30000
beverages(alcoholic): 0.030000.30000
breakfast cereal: --
cheese: 0.100001.00000
chewing gum: 0.100001.00000
condiments / relishes: --
confectionery froastings: 0.100001.00000
egg products: 0.050000.10000
fats / oils: 0.030000.50000
fish products: --
frozen dairy: 0.100001.00000
fruit ices: --
gelatins / puddings: 0.100001.00000
granulated sugar: --
gravies: 0.020000.50000
hard candy: 0.050001.00000
imitation dairy: 0.100001.00000
instant coffee / tea: 0.030000.50000
jams / jellies: --
meat products: --
milk products: 0.200002.00000
nut products: 0.050000.20000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.050000.50000
snack foods: --
soft candy: 0.100001.00000
soups: 0.020000.50000
sugar substitutes: --
sweet sauces: 0.100001.00000
 
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
 
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

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
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:
 (E)-oct-6-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:63196-63-4
Pubchem (cid):5283328
Pubchem (sid):295370676
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):Search
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
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)].
 
Notes:
None found
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