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

3-hexenal
(Z+E)-3-hexenal

Supplier Sponsors

Name:hex-3-enal
CAS Number: 4440-65-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:224-659-0
FDA UNII:3300F8DZ5A
CoE Number:5192
XlogP3-AA:1.10 (est)
Molecular Weight:98.14490000
Formula:C6 H10 O
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-3-hexenal
 (Z)-3-hexenal
EFSA/JECFA Comments:
At least 80% (total of cis- and trans-isomers); secondary component 18-20% trans-2-hexenal. (EFSA) CASrn does not specify stereoisomers. According to JECFA: Min. assay value is "80 (total of cis & trans isomers)" and secondary compounds "trans-2-hexenal". Stereoisomeric composition and composition of mixture to be specified.
Category:flavor and fragrance 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
JECFA Food Flavoring:1271 3-hexenal
FLAVIS Number:05.192 (Old)
DG SANTE Food Flavourings:05.192 3-hexenal
FDA Mainterm (SATF):4440-65-7 ; 3-HEXENAL
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 80.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Boiling Point: 57.00 °C. @ 28.00 mm Hg
Boiling Point: 127.00 to 128.00 °C. @ 760.00 mm Hg
Vapor Pressure:11.202000 mmHg @ 25.00 °C. (est)
Vapor Density:>1 ( Air = 1 )
Flash Point: 135.00 °F. TCC ( 57.22 °C. )
logP (o/w): 1.432 (est)
Soluble in:
 alcohol
 water, 5261 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: > 4 hour(s) at 100.00 %
leafy green tomato melon apple
Odor Description:at 1.00 % in dipropylene glycol. leafy green stem tomato melon apple
sharp leafy green vegetable tomato melon tropical
Odor Description:at 1.00 %. Sharp penetrating leafy green, vegetative stemmy with unripe tomato, melon and tropical nuances
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
Flavor Type: green
aromatic green waxy vegetable green melon tomato cinnamon spicy
Taste Description: at 1.00 - 10.00 ppm. Strong, aromatic green, with waxy vegatative green melon and tomato nuances. And a hint of cinnamon spice
Mosciano, Gerard P&F 25, No. 5, 72, (2000)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
3-HEXENAL MIXTURE (50% IN TRIACETIN) ≥80.0% (sum of isomers), Kosher
Odor Description:Substantive and powerful fresh green apple note, with banana, pumpkin and parsley undertones
A good modifier that imparts natural topnotes to fruity floral types.
Taste Description:Sharp, green, grassy
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.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Bedoukian Research
3-HEXENAL MIXTURE (50% IN TRIACETIN)
≥80.0% (sum of isomers), Kosher
Odor: Substantive and powerful fresh green apple note, with banana, pumpkin and parsley undertones
Use: A good modifier that imparts natural topnotes to fruity floral types.
Flavor: Sharp, green, grassy
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.
BOC Sciences
For experimental / research use only.
3-Hexenal
M&U International
3-HEXENAL MIXTURE
Parchem
3-hexenal mixture (50% in Triacetin)
Penta International
3-HEXENAL (50% IN TRIACETIN) (CIS,TRANS MIXTURE)
Taytonn
3-Hexenal Mixture (50% in Triacetin)
Odor: Fruity, Grass, Green
 
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:
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
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
 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
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
 
References:
 hex-3-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:4440-65-7
Pubchem (cid):23234
Pubchem (sid):135062663
 
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 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
 
Potential Blenders and core components note
For Odor
cheesy
2-
heptanone
FL/FR
citrus
neroli ketone
FR
petitgrain combava oil
FR
(E)-2-
tetradecenal
FL/FR
fatty
allyl octanoate
FL/FR
decanol
FL/FR
ethyl undecylenate
FL/FR
2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
floral
allyl anthranilate
FL/FR
(S)-
citronellyl acetate
FL/FR
citronellyl butyrate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
geranium pyran
FR
geranium specialty
FR
geranyl acetate
FL/FR
hexyl 2-furoate
FL/FR
hydroxycitronellal
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
methyl jasmonate
FL/FR
mimosa absolute morocco
FL/FR
neroli oil bigarde
FL/FR
rose butanoate
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
amyl 2-methyl butyrate
FL/FR
butyl hexanoate
FL/FR
cyclohexyl propionate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl levulinate
FL/FR
hexanal propylene glycol acetal
FL/FR
(E)-2-
hexen-1-ol
FL/FR
2-
hexen-1-ol
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl nonanoate
FL/FR
2-
pentyl furan
FL/FR
propyl 2,4-decadienoate
FL/FR
propyl hexanoate
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
bromstyrol
CS
2-iso
butyl thiazole
FL/FR
carrot leaf oil (daucus carota ssp.maximus)
FR
cilantro leaf oil
FL/FR
3,5,6-neo
cyclocitral
FR
diphenyl oxide
FL/FR
dodecanal dimethyl acetal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
galbanum decatriene
FL/FR
galbanum oil terpeneless
FL/FR
galbanum oleoresin
FL/FR
geranium absolute
FL/FR
geranium thiazole
FL/FR
heptanal dimethyl acetal
FL/FR
1-
heptanol
FL/FR
1-
hepten-3-ol
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
hexyl heptanoate
FL/FR
hexyl phenyl acetate
FL/FR
lawsonia inermis leaf oil CO2 extract
FR
(Z)-
leaf acetal
FL/FR
leafy acetal
FL/FR
leafy oxime
FR
manzanate (Givaudan)
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
octanal diethyl acetal
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
(E)-2-
pentenal
FL/FR
3-
phenyl propionaldehyde
FL/FR
2-
phenyl propionaldehyde
FL/FR
iso
propyl phenyl propionaldehyde
FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
rose leaf absolute (rosa centifolia)
FL/FR
styralyl acetate
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
herbal heptane
FR
lovage tincture
FL/FR
rosemary oleoresin
FL/FR
honey
methyl phenyl acetate
FL/FR
melon
melon carboxaldehyde
FR
(Z)-6-
nonenal
FL/FR
watermelon ketone
FR
minty
iso
pulegyl formate
FL/FR
pine
plectranthus glandulosus hook f. leaf oil cameroon
FR
spicy
carrot weed oil
FL/FR
sulfurous
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
mango thiol
FL/FR
methyl 3-(methyl thio) propionate
FL/FR
3-(
methyl thio) hexanol
FL/FR
tropical
2-
tropical oxathiane
FL/FR
vegetable
methional
FL/FR
waxy
allyl nonanoate
FL/FR
methyl butyl phenyl acetate
FL/FR
2,4-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
octanol
FL/FR
For Flavor
No flavor group found for these
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
allyl anthranilate
FL/FR
amyl 2-methyl butyrate
FL/FR
heptyl cinnamate
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexenal
FL
2-
hexenal
FL
hexyl heptanoate
FL/FR
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
1,5-
octadien-3-ol
FL
iso
pulegyl formate
FL/FR
2-
tropical oxathiane
FL/FR
aromatic
aromatic
leafy acetal
FL/FR
cheesy
2-
heptanone
FL/FR
citrus
cilantro leaf oil
FL/FR
cooling
manzanate (Givaudan)
FL/FR
fatty
allyl octanoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
ethyl undecylenate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
2,4-
nonadien-1-ol
FL/FR
2-
nonen-1-ol
FL/FR
2-
nonenal
FL/FR
(E)-2-
octenal
FL/FR
(E)-2-
octenoic acid
FL
(E,E)-2,4-
undecadienal
FL
fermented
methyl thio isovalerate
FL
floral
(S)-
citronellyl acetate
FL/FR
citronellyl propionate
FL/FR
dimethyl benzyl carbinyl acetate
FL/FR
(Z)-
methyl epi-jasmonate
FL/FR
methyl jasmonate
FL/FR
methyl phenyl acetate
FL/FR
mimosa absolute morocco
FL/FR
neroli oil bigarde
FL/FR
fruity
allyl cyclohexyl propionate
FL/FR
butyl hexanoate
FL/FR
citronellyl butyrate
FL/FR
cyclohexyl propionate
FL/FR
ethyl (E)-2-decenoate
FL/FR
ethyl levulinate
FL/FR
furfuryl valerate
FL
2-
furyl pentyl ketone
FL
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
hexyl phenyl acetate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
propyl hexanoate
FL/FR
rose butanoate
FL/FR
styralyl acetate
FL/FR
green
acetaldehyde butyl phenethyl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
2-iso
butyl thiazole
FL/FR
carrot weed oil
FL/FR
diphenyl oxide
FL/FR
dodecanal dimethyl acetal
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
galbanum decatriene
FL/FR
galbanum oil terpeneless
FL/FR
galbanum oleoresin
FL/FR
geranium absolute
FL/FR
geranium thiazole
FL/FR
geranyl acetate
FL/FR
heptanal dimethyl acetal
FL/FR
1-
hepten-3-ol
FL/FR
(E,E)-2,4-
hexadienal
FL
(E)-2-
hexen-1-ol
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(Z)-4-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl phenyl acetate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(E)-3-
hexenoic acid
FL
hexyl 2-furoate
FL/FR
hexyl 2-methyl butyrate
FL/FR
hexyl butyrate
FL/FR
(Z)-
leaf acetal
FL/FR
melon nonenoate
FL/FR
methyl heptine carbonate
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
3,6-
nonadien-1-yl acetate
FL/FR
(E,Z)-3,6-
nonadien-1-yl acetate
FL/FR
(Z)-6-
nonenal
FL/FR
octanal diethyl acetal
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
3-
phenyl propionaldehyde
FL/FR
2-
phenyl propionaldehyde
FL/FR
iso
phorone
FL
rose leaf absolute (rosa centifolia)
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
lovage tincture
FL/FR
rosemary oleoresin
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
melon
propyl 2,4-decadienoate
FL/FR
metallic
2,5-
dihydroxy-1,4-dithiane
FL
3-(
methyl thio) hexanol
FL/FR
onion
methyl propyl disulfide
FL
solvent
1-
heptanol
FL/FR
sulfurous
dimethyl sulfide
FL/FR
ethyl methyl mercaptopropionate
FL/FR
ethyl methyl sulfide
FL
mango thiol
FL/FR
potato butanone
FL
tomato
methional
FL/FR
vegetable
methyl 3-(methyl thio) propionate
FL/FR
waxy
allyl nonanoate
FL/FR
decanol
FL/FR
hydroxycitronellal
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(Z)-3-
nonen-1-ol
FL/FR
nonyl acetate
FL/FR
octanol
FL/FR
(E)-2-
tetradecenal
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FRapple
FRbanana
FRcelery
 feyoa
FRginger
FRgreen
FRguava
FRmandarin
FRmelon
FRraspberry
FRstrawberry
FLtomato
FLtropical
 
Occurrence (nature, food, other):note
 apple fruit
Search PMC Picture
 banana fruit
Search Trop Picture
 beer
Search PMC Picture
 butter
Search PMC Picture
 feyoa fruit
Search PMC Picture
 ginger
Search Trop Picture
 guava fruit
Search Trop Picture
 mandarin fruit juice
Search Trop Picture
 melon
Search PMC Picture
 pepper sweet pepper
Search PMC Picture
 raspberry red raspberry fruit
Search Trop Picture
 strawberry wild strawberry fruit
Search Trop Picture
 tomato
Search Trop Picture
 
Synonyms:
 hex-3-enal
(Z+E)-3-hexen-1-al
3-hexen-1-al
trans+cis-3-hexen-1-al
(Z+E)-3-hexenal
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy