Used as a food additive [EAFUS]
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      25166-87-4 4-Hexenal,(4E)-
  • CSA
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CAS Number: 25166-87-4Picture of molecule3D/inchi
% from: 76.00%
Nikkaji Web: J981.291A
XlogP3-AA: 1.00 (est)
Molecular Weight: 98.14490000
Formula: C6 H10 O
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: (Z)-4-hexenal 16.00% to 20.00%
 3-hexen-1-ol 2.00% to 4.00%
 hexanal (aldehyde C-6) 1.00% to 2.00%
EFSA/JECFA Comments: (Flavour Industry, 2007l). Contains 76.2 % trans-4-hexenal, 15.9 % cis-4-hexenal, 2.2 % 3-hexenol-1-ol and 1 % hexanal.
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
JECFA Food Flavoring: 1622  trans-4-hexenal
DG SANTE Food Flavourings: 05.224  (4E)-hexenal
FEMA Number: 4046 trans-4-hexenal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):25166-87-4 ; TRANS-4-HEXENAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 92.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.82400 to 0.83200 @  25.00 °C.
Pounds per Gallon - (est).: 6.857 to  6.923
Refractive Index: 1.41700 to 1.42400 @  20.00 °C.
Boiling Point: 125.00 to  129.00 °C. @ 760.00 mm Hg
Vapor Pressure: 11.264000 mmHg @ 25.00 °C. (est)
Flash Point: 64.00 °F. TCC ( 17.78 °C. )
logP (o/w): 1.471 (est)
Soluble in:
 water, 5261 mg/L @ 25 °C (est)
Insoluble in:
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Organoleptic Properties:
Odor Type: green
 green  vegetable  
Odor Description:
at 1.00 % in dipropylene glycol. 
green vegetable
Odor and/or flavor descriptions from others (if found).
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Cosmetic Information:
None found
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BOC Sciences
For experimental / research use only.
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavoring agents
Recommendation for (E)-4-hexenal usage levels up to:
 not for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (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: 21
Click here to view publication 21
 average usual ppmaverage maximum ppm
baked goods: 0.008000.10000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.008000.10000
imitation dairy: --
instant coffee / tea: --
jams / jellies: 0.010000.20000
meat products: --
milk products: --
nut products: --
other grains: --
poultry: 0.010000.10000
processed fruits: --
processed vegetables: 0.008000.10000
reconstituted vegetables: 0.008000.10000
seasonings / flavors: --
snack foods: 0.010000.20000
soft candy: --
soups: 0.008000.05000
sugar substitutes: --
sweet sauces: --
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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):
Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
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 : 5283308
National Institute of Allergy and Infectious Diseases: Data
Chemidplus: 0025166874
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NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5283308
Pubchem (sid): 135121453
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB33549
FooDB: FDB011613
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
For Odor
 tropical thiazoleFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
isopropyl tiglateFL/FR
 grapefruit menthaneFL/FR
3-(methyl thio) hexanolFL/FR
For Flavor
No flavor group found for these
2-ethyl-4,5-dimethyl oxazoleFL
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
2-methyl thiazoleFL
4-(methyl thio) butanolFL
2-isopropyl-3-(methyl thio) pyrazineFL
 tropical thiazoleFL/FR
 dihydroxyacetophenone (mixed isomers)FL
3-(5-methyl-2-furyl) butanalFL
2-propyl pyrazineFL
isopropyl tiglateFL/FR
 propylene glycol acetone ketalFL
3-(methyl thio) hexanolFL/FR
 grapefruit menthaneFL/FR
 methyl benzyl disulfideFL
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Potential Uses:
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Occurrence (nature, food, other): note
 found in nature
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4-hexenal, (4E)-
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