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

2,4-hexadienal
hexa-2,4-dienal

Supplier Sponsors

Name:hexa-2,4-dienal
CAS Number: 80466-34-8Picture of molecule3D/inchi
XlogP:1.50 (est)
Molecular Weight:96.12896000
Formula:C6 H8 O
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:pale yellow to yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 155.86 °C. @ 760.00 mm Hg (est)
Vapor Pressure:2.970000 mm/Hg @ 25.00 °C. (est)
Flash Point: 143.00 °F. TCC ( 61.70 °C. ) (est)
logP (o/w): 1.381 (est)
Soluble in:
 alcohol
 water, 8135 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:high ,
recommend smelling in a 1.00 % solution or less
Substantivity: > 1 hour(s) at 100.00 %
fatty sweet green aldehydic spicy
Odor Description:at 1.00 % in dipropylene glycol. fatty sweet green aldehydic spicy
Flavor Type: green
green creamy
Taste Description: green creamy
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
2,4-HEXADIEN-1-AL
Odor Description:Fatty, sweet, green aldehydic odor with a spicy finish
This material should NOT be used as a fragrance ingredient due to the absence of data necessary to perform an adequate safety evaluation per IFRA Safety Standards in Annex 1 of the Code of Practice.
Taste Description:Sweet, green, creamy
Citrus flavors, especially orange and tangerine. Can also be used for spicy notes in graham crackers.
 
Cosmetic Information:
None found
 
Suppliers:
Bedoukian Research
2,4-HEXADIEN-1-AL
Odor: Fatty, sweet, green aldehydic odor with a spicy finish
Use: This material should NOT be used as a fragrance ingredient due to the absence of data necessary to perform an adequate safety evaluation per IFRA Safety Standards in Annex 1 of the Code of Practice.
Flavor: Sweet, green, creamy
Citrus flavors, especially orange and tangerine. Can also be used for spicy notes in graham crackers.
 
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: flavoring agents
IFRA: View Standard
Recommendation for 2,4-hexadienal usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
 
Safety References:
EPI System: View
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :8901
National Institute of Allergy and Infectious Diseases:Data
hexa-2,4-dienal
Chemidplus:0080466348
 
References:
 hexa-2,4-dienal
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):8901
Pubchem (sid):135019854
Flavornet:80466-34-8
 
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
FooDB:FDB013895
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
octanal (aldehyde C-8)
FL/FR
2-
tridecenal
FL/FR
balsamic
guaiyl acetate
FL/FR
citrus
citral
FL/FR
2-
tetradecenal
FL/FR
tetrahydrocitral
FL/FR
fatty
3-
decen-2-one
FL/FR
(E,Z)-2,6-
dodecadienal
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
(E)-2-
nonenal
FL/FR
2-
nonenal
FL/FR
2-
octenal
FL/FR
floral
ocean propanal
FL/FR
clementine
petitgrain oil
FL/FR
fruity
iso
amyl octanoate
FL/FR
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
(E)-2-
undecenal
FL/FR
green
cilantro leaf oil
FL/FR
iso
cyclocitral (IFF)
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-4-
heptenal
FL/FR
2-
heptyl furan
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexenal
FL/FR
3,5-
ivy carbaldehyde
FL/FR
ivy carbaldehyde
FL/FR
2,4-
ivy carbaldehyde
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(Z)-2-
nonen-1-ol
FL/FR
(E)-2-
octen-1-yl acetate
FL/FR
olive oil absolute
FL/FR
herbal
3-
octyl acetate
FL/FR
spicy
cumin seed absolute
FL/FR
waxy
allyl nonanoate
FL/FR
decanal diethyl acetal
FL/FR
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
propyl decanoate
FL/FR
For Flavor
No flavor group found for these
9-
decen-2-one
FL
2-
decyl furan
FL
epoxy-2-decenal
FL
furfuryl hexanoate
FL
guaiyl acetate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
hexanal butane-2,3-diol acetal
FL
hexyl (E)-2-hexenoate
FL
ivy carbaldehyde
FL/FR
3,5-
ivy carbaldehyde
FL/FR
methyl 2-hexenoate
FL/FR
6-
methyl octanal
FL
6-
methyl-5-hepten-2-one propylene glycol acetal
FL/FR
2-
octenal
FL/FR
propyl decanoate
FL/FR
2-
propyl pyridine
FL
2-
tetradecenal
FL/FR
tetrahydrocitral
FL/FR
(±)-3-(
methyl thio) heptanal
FL
aldehydic
aldehydic
octanal (aldehyde C-8)
FL/FR
2-
tridecenal
FL/FR
citrus
cilantro leaf oil
FL/FR
citral
FL/FR
clementine
petitgrain oil
FL/FR
fatty
2,4-
decadienal
FL
(E,E)-2,4-
heptadienal
FL
2-
heptyl furan
FL/FR
2,4-
nonadien-1-ol
FL/FR
2,4-
nonadienal
FL
(Z)-2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
floral
ocean propanal
FL/FR
fruity
iso
amyl octanoate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 2-methyl butyrate
FL/FR
methyl 3-nonenoate
FL/FR
octen-1-yl cyclopentanone
FL/FR
green
avocado flavor
FL
iso
cyclocitral (IFF)
FL/FR
3-
decen-2-one
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
(E,Z)-2,6-
dodecadienal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(E)-2-
heptenal
FL
(Z)-4-
heptenal
FL/FR
hexanal (aldehyde C-6)
FL/FR
(Z)-3-
hexenal
FL/FR
2-
hexyl pyridine
FL
2,4-
ivy carbaldehyde
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E)-2-
nonen-1-ol
FL/FR
(E)-2-
nonenal
FL/FR
(E,E)-2,4-
octadienal
FL
2,4-
octadienal
FL
(E)-2-
octen-1-yl acetate
FL/FR
3-
octyl acetate
FL/FR
oily
olive oil absolute
FL/FR
pungent
acetaldehyde
FL
spicy
cumin seed absolute
FL/FR
waxy
allyl nonanoate
FL/FR
decanal diethyl acetal
FL/FR
9-
decenoic acid
FL/FR
heptyl octanoate
FL/FR
octyl butyrate
FL/FR
(E)-2-
undecenal
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 caraway seed
Search Trop Picture
 cascarilla bark oil @ trace%
Data GC Search Trop Picture
 corn silk
Search Trop Picture
 
Synonyms:
 hexa-2,4-dienal
2,4-hexadien-1-al
 

Articles:

PubMed:Comprehensive analysis of the catalytic and structural properties of a mu-class glutathione s-transferase from Fasciola gigantica.
PubMed:Degradation of Diphenyl Ether in Sphingobium phenoxybenzoativorans SC_3 Is Initiated by a Novel Ring Cleavage Dioxygenase.
PubMed:Multi-trait analysis of post-harvest storage in rocket salad (Diplotaxis tenuifolia) links sensorial, volatile and nutritional data.
PubMed:PARTICIPATION OF Y89 AND Y97 IN THE CONJUGATING ACTIVITY OF Drosophila melanogaster GLUTATHIONE S-TRANSFERASE D3 (DmGSTD3).
PubMed:Use of TD-GC-TOF-MS to assess volatile composition during post-harvest storage in seven accessions of rocket salad (Eruca sativa).
PubMed:Change of volatile compounds in fresh fish meat during ice storage.
PubMed:exo-Selective asymmetric Diels-Alder reaction of 2,4-dienals and nitroalkenes by trienamine catalysis.
PubMed:Laboratory investigation on the role of organics in atmospheric nanoparticle growth.
PubMed:Volatile composition of four southern highbush blueberry cultivars and effect of growing location and harvest date.
PubMed:Human aldo-keto reductases 1B1 and 1B10: a comparative study on their enzyme activity toward electrophilic carbonyl compounds.
PubMed:Synthesis and biological evaluation of (+/-)-dinemasone C and analogues.
PubMed:The fate of benzene-oxide.
PubMed:Aldo-keto reductase family 1 B10 protein detoxifies dietary and lipid-derived alpha, beta-unsaturated carbonyls at physiological levels.
PubMed:Effect of soybean volatile compounds on Aspergillus flavus growth and aflatoxin production.
PubMed:A kinetic and mechanistic study of the amino acid catalyzed aldol condensation of acetaldehyde in aqueous and salt solutions.
PubMed:Characterization of Taenia solium cysticerci microsomal glutathione S-transferase activity.
PubMed:The atmospheric photolysis of E-2-hexenal, Z-3-hexenal and E,E-2,4-hexadienal.
PubMed:Volatile emissions from Aesculus hippocastanum induced by mining of larval stages of Cameraria ohridella influence oviposition by conspecific females.
PubMed:Metabolism of trans, trans-muconaldehyde, a cytotoxic metabolite of benzene, in mouse liver by alcohol dehydrogenase Adh1 and aldehyde reductase AKR1A4.
PubMed:Syntheses of (-)-TAN-2483A, (-)-massarilactone B, and the fusidilactone B ring system. Revision of the structures of and syntheses of (+/-)-Waol A (FD-211) and (+/-)-Waol B (FD-212).
PubMed:Purification, characterization and kinetic properties of the Taenia solium glutathione S-transferase isoform 26.5 kDa.
PubMed:NTP toxicology and carcinogensis Studies of 2,4-hexadienal (89% trans,trans isomer, CAS No. 142-83-6; 11% cis,trans isomer) (Gavage Studies).
PubMed:Volatile constituents from the leaves of Callicarpa japonica Thunb. and their antibacterial activities.
PubMed:Particle growth by acid-catalyzed heterogeneous reactions of organic carbonyls on preexisting aerosols.
PubMed:Alpha,beta-unsaturated carbonyl compounds: induction of oxidative DNA damage in mammalian cells.
PubMed:Forestomach tumor induction by 2,4-hexadienal in F344N rats and B6C3F1 mice.
PubMed:Synthesis of (-)-TAN-2483A. Revision of the structures and syntheses of (+/-)-FD-211 (waol A) and (+/-)-FD-212 (waol B).
PubMed:Short term feeding of hexadienal to postnatal rats: effects on stomach aldehyde dehydrogenase.
PubMed:Thresholds of carcinogenicity of flavors.
PubMed:Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry.
PubMed:The influence of the solvents DMSO and ethanol on the genotoxicity of alpha,beta-unsaturated aldehydes in the SOS chromotest.
PubMed:Glutathione S-transferase pi expression in forestomach carcinogenesis process induced by gavage-administered 2,4-hexadienal in the F344 rat.
PubMed:DNA-damaging potential and glutathione depletion of 2-cyclohexene-1-one in mammalian cells, compared to food relevant 2-alkenals.
PubMed:Structure-activity relationships in the induction of DNA-protein cross-links by hematotoxic ring-opened benzene metabolites and related compounds in HL60 cells.
PubMed:Appearance of cross linked proteins in human atheroma and rat pre-fibrotic liver detected by a new monoclonal antibody.
PubMed:Reactive ring-opened aldehyde metabolites in benzene hematotoxicity.
PubMed:Neighboring Group Effects in Intramolecular Aldol Condensations. Rate Enhancement by gamma Substituents(1).
PubMed:Chemistry and antimicrobial activity of caryoynencins analogs.
PubMed:Iron-stimulated ring-opening of benzene in a mouse liver microsomal system. Mechanistic studies and formation of a new metabolite.
PubMed:The hematotoxic effects of 6-hydroxy-trans,trans-2,4-hexadienal, a reactive metabolite of trans,trans-muconaldehyde, in CD-1 mice.
PubMed:Interaction of trans,trans-muconaldehyde with bovine serum albumin.
PubMed:Mutagenicity of trans,trans-muconaldehyde and its metabolites in V79 cells.
PubMed:Reaction of (E,E)-muconaldehyde and its aldehydic metabolites, (E,E)-6-oxohexadienoic acid and (E,E)-6-hydroxyhexa-2,4-dienal, with glutathione.
PubMed:Identification and characterization of deoxyguanosine adducts of mutagenic beta-alkyl-substituted acrolein congeners.
PubMed:Pathways of trans,trans-muconaldehyde metabolism in mouse liver cytosol: reversibility of monoreductive metabolism and formation of end products.
PubMed:Cell spreading on collagen that has been exposed to reactive aldehydes.
PubMed:Mutagenicity of beta-alkyl substituted acrolein congeners in the Salmonella typhimurium strain TA100 and genotoxicity testing in the SOS chromotest.
PubMed:Pseudo malonaldehyde activity in the thiobarbituric acid test.
 
Notes:
None found
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