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

(E,E)-2,4-hexadienal
trans,trans-2,4-hexadienal

Sponsors

Name: (2E,4E)-hexa-2,4-dienal
CAS Number: 142-83-6Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 205-564-3
FDA UNII: 878K4I6N7T
Nikkaji Web: J12.975E
Beilstein Number: 1698401
MDL: MFCD00007004
CoE Number: 640
XlogP3-AA: 1.20 (est)
Molecular Weight: 96.12896000
Formula: C6 H8 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: 2,4-hexadienal
EFSA/JECFA Comments:
Secondary components 5% hexa-2(trans),4(cis)-dienal, < 1% hexa-2(cis),4(cis)-dienal,< 1% hexa-2(cis),4(trans)-dienal, < 0.1% 2,4-hexadecanoic acid
Category: cosmetic and flavor 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
JECFA Food Flavoring: 1175 (E,E)-2,4-hexadienal
Flavis Number: 05.057 (Old)
DG SANTE Food Flavourings: 05.057 hexa-2(trans),4(trans)-dienal
FEMA Number: 3429 trans,trans-2,4-hexadienal
FDA Mainterm: TRANS, TRANS-2,4-HEXADIENAL
 
Physical Properties:
Appearance: yellow clear liquid (est)
Assay: 97.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.88800 to 0.89800 25.00 °C.
Pounds per Gallon - (est).: 7.389 to 7.472
Specific Gravity: 0.89600 to 0.90200 @ 20.00 °C.
Pounds per Gallon - est.: 7.464 to 7.514
Refractive Index: 1.53800 to 1.54500 @ 20.00 °C.
Refractive Index: 1.53800 to 1.54300 @ 20.00 °C.
Boiling Point: 69.00 °C. @ 20.00 mm Hg
Boiling Point: 173.00 to 174.00 °C. @ 754.00 mm Hg
Acid Value: 5.00 max. KOH/g
Vapor Pressure: 2.970000 mm/Hg @ 25.00 °C. (est)
Flash Point: 130.00 °F. TCC ( 54.44 °C. )
logP (o/w): 1.058 (est)
Soluble in:
 alcohol
 water, 8135 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
Substantivity: > 1 hour(s) at 100.00 %
 sweet green spicy floral citrus
Odor Description:
at 10.00 % in dipropylene glycol.
sweet green spicy floral citrus
 green fruity aldehydic citrus waxy
Odor Description:
Green, fruity, aldehydic, citrus and waxy
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
Flavor Type: green
 sweet green waxy aldehydic fresh melon
Taste Description:
at 25.00 ppm.
Sweet, green, waxy, aldehydic with fresh melon nuances
Mosciano, Gerard P&F 18, No. 3, 53, (1993)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
2,4-HEXADIEN-1-AL ≥80.0% (trans,trans), Kosher
Odor Description: Fatty, sweet, green aldehydic odor with a spicy finish
Taste Description: Sweet, green, creamy
Citrus flavors, especially orange and tangerine. Can also be used for spicy notes in graham crackers.
Apiscent Labs
T2 T4 HEXADIENAL
Odor Description: Very diffusive green odor, slightly pungent and fatty
FCI SAS
TRANS-2-TRANS-4-HEXADIENAL
Odor Description: Very diffusive green odor, slightly pungent, slightly fatty
Taste Description: Citrus like green
 
Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Apiscent Labs
T2 T4 HEXADIENAL
Odor: Very diffusive green odor, slightly pungent and fatty
Bedoukian Research
2,4-HEXADIEN-1-AL
≥80.0% (trans,trans), Kosher
Odor: Fatty, sweet, green aldehydic odor with a spicy finish
Flavor: Sweet, green, creamy
Citrus flavors, especially orange and tangerine. Can also be used for spicy notes in graham crackers.
Beijing Lys Chemicals
Trans, trans-2,4-Hexadienal
BOC Sciences
For experimental / research use only.
2,4-HEXADIEN-1-AL 95.0% (sum of isomers)
Carbosynth
For experimental / research use only.
trans,trans-2,4-Hexadienal
DeLong Chemicals America
Trans,trans-2,4-Hexadienal, Kosher
FCI SAS
TRANS-2-TRANS-4-HEXADIENAL
Odor: Very diffusive green odor, slightly pungent, slightly fatty
Flavor: Citrus like green
Godavari Biorefineries
Sorbaldehyde
M&U International
2,4-HEXADIEN-1-AL
Nagar Haveli Perfumes & Aromatics
2,4 Hexadienal
Odor: Green, fruity, aldehydic, citrus and waxy
Nagar Haveli Perfumes & Aromatics
2,4 Hexadienal
Natural
Odor: Green, fruity, aldehydic, citrus and waxy
Penta International
trans-2, trans-4-HEXADIENAL, Kosher
Riverside Aromatics
trans-2, trans-4-HEXADIENAL, NATURAL
Santa Cruz Biotechnology
For experimental / research use only.
trans,trans-2,4-Hexadienal
Sigma-Aldrich
trans,trans-2,4-Hexadienal, ≥95%
Odor: green; citrus; floral
Certified Food Grade Products
Synerzine
t,t-2,4-Hexadienal
TCI AMERICA
For experimental / research use only.
2,4-Hexadienal >95.0%(GC)
 
Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
T - Toxic.
R 10 - Flammable.
R 22 - Harmful if swallowed.
R 24 - Toxic in contact with skin.
R 36/38 - Irritating to skin and eyes.
R 43 - May cause sensitisation by skin contact.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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 300 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 337, 1988.

Dermal Toxicity:
skin-rabbit LD50 270 ul/kg
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

skin-guinea pig LDLo 2500 mg/kg
Food and Chemical Toxicology. Vol. 26, Pg. 337, 1988.

Inhalation Toxicity:
inhalation-rat LCLo 2000 ppm/4H
AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 10, Pg. 61, 1954.

 
Safety in Use Information:
Category: cosmetic and flavor agents
IFRA: View Standard
Recommendation for (E,E)-2,4-hexadienal usage levels up to:
 PROHIBITED: Should not be used as a fragrance ingredient.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.97 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/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: 8
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -4.00000
beverages(alcoholic): -1.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -4.00000
confectionery froastings: -6.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: -4.00000
fruit ices: -4.00000
gelatins / puddings: -4.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: -2.00000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alpha,beta-unsaturated aldehydes and related substances used as flavor ingredients.View pdf
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 203: alpha,beta-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double bonds and with or without additional non-conjugated double bonds
View page or View pdf
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 203, Revision 1 (FGE.203Rev1): a,-Unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 203, Revision 2 (FGE.203Rev2): a,-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.4 of FGE.19 with two or more conjugated double-bonds and with or without additional non-conjugated double-bonds
View page or View pdf
EPI System: View
NLM Hazardous Substances Data Bank: Search
Chemical Carcinogenesis Research Information System: Search
Carcinogenic Potency Database: Search
Env. Mutagen Info. Center: Search
EPA Substance Registry Services (TSCA): 142-83-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 637564
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 2922
WGK Germany: 3
 (2E,4E)-hexa-2,4-dienal
Chemidplus: 0000142836
RTECS: WG1925000 for cas# 142-83-6
 
References:
 (2E,4E)-hexa-2,4-dienal
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 142-83-6
Pubchem (cid): 637564
Pubchem (sid): 134973410
Pherobase: View
 
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
CHEBI: View
CHEMBL: View
KEGG (GenomeNet): C19249
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2912.19.5000
Haz-Map: View
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
 
Potential Blenders and core components note
For Odor
For Flavor
No flavor group found for these
actinidia chinensis fruit juice
FL
allyl levulinate
FL
allyl tiglate
FL
2,5-
diethyl-4-propyl thiazole
FL
ethyl 2-(methyl thio) acetate
FL
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
(E)-3-
hexenal
FL
2-
hexenal diethyl acetal
FL
hexyl (E)-2-hexenoate
FL
methyl 3-hydroxybutyrate
FL
methyl 4-pentenoate
FL
2-
methyl-2-octenal
FL
(E)-2-
methyl-2-octenal
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
3-
octyl butyrate
FL
creamy
creamy
2,4-
heptadienal
FL
earthy
1-
hexen-3-yl acetate
FL
fatty
(E)-2-
octenoic acid
FL
(E,E)-2,4-
undecadienal
FL
floral
pseudo
ionone
FL
fruity
ethyl (E)-2-octenoate
FL
furfuryl propionate
FL
2-
furyl pentyl ketone
FL
kiwi distillates
FL
methyl (E)-3-nonenoate
FL
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
green
(E)-2-
hexenal diethyl acetal
FL
methyl 2-undecynoate
FL
iso
phorone
FL
meaty
12-
methyl tridecanal
FL
pungent
acetaldehyde
FL
sour
3-
methyl valeric acid
FL
 
Potential Uses:
 appleFL
 cherryFL
 citrusFL
 fatFL
 floral 
 fresh 
 fruit tropical fruit 
 greenFL
 kiwiFL
 mangoFL
 melon watermelon muskmelon cantaloupe 
 orangeFL
 pearFL
 pineappleFL
 spiceFL
 
Occurrence (nature, food, other): note
 beef cooked beef
Search PMC Picture
 beer
Search PMC Picture
 bread wheat bread
Search PMC Picture
 caviar
Search PMC Picture
 chicken cooked chicken
Search PMC Picture
 clam
Search PMC Picture
 fish
Search PMC Picture
 guava fruit
Search Trop Picture
 guava fruit headspace reunion @ 2.20%
Data GC Search Trop Picture
 hop oil
Search Trop Picture
 kiwi fruit
Search Trop Picture
 mango fruit
Search Trop Picture
 olive
Search Trop Picture
 parsley leaf
Search Trop Picture
 peanut roasted peanut
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 
Synonyms:
(2E,4E)-hexa-2,4-dienal
(E,E)-hexa-2,4-dienal
 hexa-2(trans),4(trans)-dienal
(E,E)-2,4-hexadien-1-al
(E)-2,(E)-4-hexadien-1-al
trans-2,trans-4-hexadien-1-al
trans,trans-2,4-hexadien-1-al
(2E,4E)-2,4-hexadienal
(E,E)-2,4-hexadienal
T2 T4 hexadienal
trans-2, trans-4-hexadienal
trans,trans-2,4-hexadienal
2,4-hexadienal (89% trans,trans;11% cis,trans)
2,4-hexadienal, (2E,4E)-
2,4-hexadienal, (E,E)-
2,4-hexadienal, trans,trans-
1,3-pentadiene-1-carboxaldehyde
2-propylene acrolein
3-propylene acrolein
 sorbaldehyde
 sorbic aldehyde
 

Articles:

PubMed: Volatile composition of four southern highbush blueberry cultivars and effect of growing location and harvest date.
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: 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: Structure-activity relationships in the induction of DNA-protein cross-links by hematotoxic ring-opened benzene metabolites and related compounds in HL60 cells.
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: Mutagenicity of trans,trans-muconaldehyde and its metabolites in V79 cells.
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.
 
Notes:
None found
 
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