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    General Material Information
  2. 2.
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    Organoleptic Properties
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3-hexenal

Chemical Structure

General Material Information

Preferred name 3-hexenal
Trivial Name 3-Hexenal
Short Description (Z+E)-3-hexenal
Formula C6 H10 O
CAS Number 4440-65-7
Flavis Number 5.192
ECHA Number 224-659-0
FDA UNII 3300F8DZ5A
COE Number 5192
xLogP3-AA 1.10 (est)
NMR Predictor External link
JECFA Food Flavoring 1271 3-hexenal
FDA Mainterm 4440-65-7 ; 3-HEXENAL
Synonyms
  • hex-3-enal
  • (Z+E)-3-hexen-1-al
  • 3-hexen-1-al
  • trans+cis-3-hexen-1-al
  • (Z+E)-3-hexenal
  • Hydrosorbaldehyde

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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):HMDB31497
FooDB:FDB008083
Export Tariff Code:3302.90.0050
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 98.144897460938
Boiling Point 127 to 128°C @ 760 mm Hg
Vapor Pressure 11.202 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 57.22 °C TCC
logP (o/w) 1.432 est
Solubility
alcohol Yes
water, 5261 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
leafy, green, tomato, melon, apple, sharp, vegetable, tropical
Odor strength high , recommend smelling in a 1.00 % solution or less
Substantivity > 4 hour(s) at 100.00 %
General comment At 1.00 % in dipropylene glycol. leafy green stem tomato melon apple
Mosciano, Gerard P&F 25, No. 5, 72, (2000) At 1.00 %. Sharp penetrating leafy green, vegetative stemmy with unripe tomato, melon and tropical nuances
Flavor Type: Green
aromatic, green, waxy, vegetable, melon, tomato, cinnamon, spicy
Mosciano, Gerard P&F 25, No. 5, 72, (2000) At 1.00 - 10.00 ppm. Strong, aromatic green, with waxy vegatative green melon and tomato nuances. And a hint of cinnamon spice
Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables. Sharp, green, grassy

Occurrences

Potential Uses

Applications
Odor purposes Apple, Banana, Celery, Ginger, Green, Guava, Mandarin, Melon, Raspberry, Strawberry
Flavoring purposes Tomato, Tropical
Other purposes Feyoa
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
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 3000 mg/kg
Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 3-hexenal usage levels up to:
0.5000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 24.70 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 53.00 (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: 19
Click here to view publication 19
average usual ppmaverage maximum ppm
baked goods: 4.000007.00000
beverages(nonalcoholic): 1.000003.00000
beverages(alcoholic): 0.200001.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 1.000003.00000
fruit ices: --
gelatins / puddings: 2.000003.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 3.500005.00000
soups: --
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...

European Food Safety Authority (EFSA) reference(s):

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

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 Substance Registry Services (TSCA):4440-65-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :23234
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1989
WGK Germany:2
hex-3-enal
Chemidplus:0004440657