| Name: | hex-3-enal |
| CAS Number: | 4440-65-7 | 3D/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, Edge 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:
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:
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 ASCC |
| 3-Hexenal Mixture (50% in Triacetin)
Odor: Fruity, Grass, Green |
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 ppm | average maximum ppm |
| baked goods: | 4.00000 | 7.00000 |
| beverages(nonalcoholic): | 1.00000 | 3.00000 |
| beverages(alcoholic): | 0.20000 | 1.00000 |
| breakfast cereal: | - | - |
| cheese: | - | - |
| chewing gum: | - | - |
| condiments / relishes: | - | - |
| confectionery froastings: | - | - |
| egg products: | - | - |
| fats / oils: | - | - |
| fish products: | - | - |
| frozen dairy: | 1.00000 | 3.00000 |
| fruit ices: | - | - |
| gelatins / puddings: | 2.00000 | 3.00000 |
| 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: | 3.50000 | 5.00000 |
| 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...
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European Food Safety Authority (EFSA) reference(s):
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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 |
References:
Other Information:
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 |
| dairy |
methyl butyl phenyl acetate 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 levulinate FL/FR |
hexanal propylene glycol acetal FL/FR |
2- hexen-1-ol FL/FR |
(E)-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)-2-decenoate 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)-4- hexen-1-ol FL/FR |
(Z)-2- hexen-1-ol FL/FR |
3- 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 |
2- phenyl propionaldehyde FL/FR |
3- 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 |
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 |
| aromatic |
| aromatic |
leafy acetal FL/FR |
| cheesy |
2- heptanone FL/FR |
| citrus |
cilantro leaf oil FL/FR |
| cooling |
manzanate (Givaudan) FL/FR |
| dairy |
methyl butyl phenyl acetate 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)-4- hexen-1-ol FL/FR |
(Z)-2- 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)-3,6- nonadien-1-yl acetate FL/FR |
(E,Z)-2,6- nonadien-1-yl acetate FL/FR |
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 |
2- phenyl propionaldehyde FL/FR |
3- 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 |
| 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 |
| tropical |
2- tropical oxathiane 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:
Occurrence (nature, food, other): note
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:
|