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

(E)-4-heptenal
trans-4-heptenal

Supplier Sponsors

CAS Number: 929-22-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:213-198-0
FDA UNII:WLK79PR715
Nikkaji Web:J298.505E
CoE Number:2125
XlogP3-AA:1.40 (est)
Molecular Weight:112.17184000
Formula:C7 H12 O
NMR Predictor:Predict (works with chrome or firefox)
Category:natural substances and extractives
 
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
FEMA Number:3289 trans-4-heptenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 92.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 151.00 to 152.00 °C. @ 760.00 mm Hg
Vapor Pressure:3.641000 mmHg @ 25.00 °C. (est)
Flash Point: 95.00 °F. TCC ( 35.00 °C. )
logP (o/w): 1.980 (est)
Soluble in:
 alcohol
 water, 3511 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Apple Flavor & Fragrance
cis-4-Hepten-1-al
Aston Chemical
For experimental / research use only.
4-Heptenal, (4E)-
BOC Sciences
For experimental / research use only.
(E)-hept-4-enal
Parchem
(E)-4-hepten-1-al
 
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: natural substances and extractives
Recommendation for (E)-4-heptenal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.60 (μg/capita/day)
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: 5
Click here to view publication 5
 average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: -1.00000
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: -1.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
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...

EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :5283318
National Institute of Allergy and Infectious Diseases:Data
(E)-hept-4-enal
Chemidplus:0000929226
 
References:
 (E)-hept-4-enal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5283318
Pubchem (sid):135030935
 
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
FLfish
FLseafood
 
Occurrence (nature, food, other):note
 fish oil
Search PMC Picture
 
Synonyms:
(4E)-hept-4-enal
(E)-hept-4-enal
trans-hept-4-enal
 hept-trans-4-enal
(E)-4-hepten-1-al
trans-4-hepten-1-al
(4E)-4-heptenal
trans-4-heptenal
4-heptenal, (4E)-
4-heptenal, (E)-
 

Articles:

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:Electrophysiological responses of the olfactory receptors of the tick Amblyomma cajennense (Acari: Ixodidae) to host-related and tick pheromone-related synthetic compounds.
PubMed:Kinetics studies of the gas-phase reactions of NO3 radicals with series of 1-alkenes, dienes, cycloalkenes, alkenols, and alkenals.
PubMed:Food volatile compounds facilitating HII mesophase formation: solubilization and stability.
PubMed:Effect of temperature on lipid-related volatile production in tomato puree.
PubMed:Characterization of the most odor-active compounds in an American Bourbon whisky by application of the aroma extract dilution analysis.
PubMed:Formation of trans-4-hydroxy-2-nonenal- and other enal-derived cyclic DNA adducts from omega-3 and omega-6 polyunsaturated fatty acids and their roles in DNA repair and human p53 gene mutation.
PubMed:Dynamic headspace gas chromatography/mass spectrometry characterization of volatiles produced in fish oil enriched mayonnaise during storage.
PubMed:Volatile compound content and fatty acid composition of pork as influenced by linoleic acid content of the diet.
PubMed:Acute toxicity of trans-4-hydroxy-2-nonenal in Fisher 344 rats [corrected].
PubMed:Mutagenicity of beta-alkyl substituted acrolein congeners in the Salmonella typhimurium strain TA100 and genotoxicity testing in the SOS chromotest.
PubMed:[Co-oxydation of linoleic acid to volatile compounds by lipoxygenase isoenzymes from soya beans (author's transl)].
 
Notes:
None found
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