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

2-hexenal
hexylenic aldehyde

Sponsors

Name:hex-2-enal
CAS Number: 505-57-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:208-014-0
Beilstein Number:1740988
MDL:MFCD00007008
CoE Number:748
XlogP3-AA:1.50 (est)
Molecular Weight:98.14490000
Formula:C6 H10 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome or firefox)
Also(can) Contains:(E)-2-hexenal
 (Z)-2-hexenal
 2-hexenoic acid
EFSA/JECFA Comments:
At least 92%; secondary component 3-4% 2-hexenoic acid. (EFSA)
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
FLAVIS Number:05.189 (Old)
DG SANTE Food Flavourings:05.189 2-hexenal
FEMA Number:2560 2-hexenal
FDA Mainterm: 2-HEXENAL
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.83800 to 0.84800 @ 25.00 °C.
Pounds per Gallon - (est).: 6.973 to 7.056
Refractive Index:1.43600 to 1.44600 @ 20.00 °C.
Boiling Point: 47.00 °C. @ 17.00 mm Hg
Boiling Point: 146.00 to 147.00 °C. @ 760.00 mm Hg
Vapor Pressure:4.624000 mm/Hg @ 25.00 °C. (est)
Vapor Density:3.4 ( Air = 1 )
Flash Point: 101.00 °F. TCC ( 38.33 °C. )
logP (o/w): 1.790 (est)
Soluble in:
 alcohol
 water, 5261 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: green
Odor Strength:medium ,
recommend smelling in a 1.00 % solution or less
sweet almond bitter almond fruity green leafy apple plum vegetable
Odor Description:at 100.00 %. sweet almond fruity green leafy apple plum vegetable
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
2-hexenal
Penta International
2-HEXENAL, Kosher
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
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:
intraperitoneal-mouse LD50 290 mg/kg
Personal Communication from H. Zollner, Institut fur Biochemie, Der Universitat, Gras, Oct. 23, 1975Vol. 23OCT1975

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for 2-hexenal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 675.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 409.00 (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: 3
 average usual ppmaverage maximum ppm
baked goods: -16.00000
beverages(nonalcoholic): -3.10000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -0.70000
fruit ices: -0.70000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -15.00000
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: --
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):
EFSA Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF)
View page or View pdf
EPI System: View
Chemical Carcinogenesis Research Information System:Search
Cancer Citations:Search
Toxicology Citations:Search
Env. Mutagen Info. Center:Search
EPA Substance Registry Services (TSCA):505-57-7
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :10460
National Institute of Allergy and Infectious Diseases:Data
hex-2-enal
Chemidplus:0000505577
RTECS:MP5900000 for cas# 505-57-7
 
References:
 hex-2-enal
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:505-57-7
Pubchem (cid):10460
Pubchem (sid):134976298
Flavornet:505-57-7
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
Metabolomics Database:Search
HMDB (The Human Metabolome Database):HMDB31496
FooDB:FDB008081
YMDB (Yeast Metabolome Database):YMDB01655
Haz-Map:View
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
Wikipedia:View
RSC Learn Chemistry: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
9-
decen-2-one
FL
2,5-
diethyl-4-propyl thiazole
FL
ethyl 2-(methyl thio) acetate
FL
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
(E)-3-
hexenal
FL
2-
hexenal diethyl acetal
FL
(Z)-3-
hexenoic acid
FL
hexyl (E)-2-hexenoate
FL
methyl 3-hydroxybutyrate
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
3-
octyl butyrate
FL
buttery
buttery
(E)-2-
pentenoic acid
FL
creamy
acetoin butyrate
FL
2,4-
heptadienal
FL
2-
methyl-4-pentenoic acid
FL
dairy
4-
pentenoic acid
FL
earthy
1-
hexen-3-yl acetate
FL
fatty
dimethyl sulfoxide
FL
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
fruity
furfuryl propionate
FL
kiwi distillates
FL
(Z)-3-
nonen-1-yl acetate
FL
(Z)-5-
octen-1-yl acetate
FL
green
(E,E)-2,4-
hexadienal
FL
methyl 2-undecynoate
FL
4-
methyl-2-pentenal
FL
meaty
2-
methyl 3-(methyl thio) furan
FL
pungent
acetaldehyde
FL
sour
2,4-
dimethyl-2-pentenoic acid
FL
3-
methyl valeric acid
FL
sulfurous
methyl 4-(methyl thio) butyrate
FL
 
Potential Uses:
FLalmond
 fern fougere
 fruit
FLgreen
 hawthorn
FLnut
 
Occurrence (nature, food, other):note
 apple plant
Search Trop Picture
 burdock root
Search Trop Picture
 clary sage oil greece @ 0.15%
Data GC Search Trop Picture
 cucumber fruit
Search Trop Picture
 currant black currant fruit
Search Trop Picture
 elder black elder flower oil
Search Trop Picture
 elder black elder leaf oil
Search Trop Picture
 ginkgo biloba plant
Search Trop Picture
 lavandin oil grosso @ trace%
Data GC Search Trop Picture
 oregano shoot
Search Trop Picture
 soybean plant
Search Trop Picture
 tagete flower oil rwanda @ trace%
Data GC Search Trop Picture
 tagete oil rwanda @ 0.03%
Data GC Search Trop Picture
 violet leaf absolute @ 1.30%
Data GC Search Trop Picture
 walnut english walnut leaf
Search Trop Picture
 
Synonyms:
 hex-2-en-1-al
 hex-2-enal
(Z+E)-2-hexen-1-al
2-hexen-1-al
 hexen-2-en-1-al
alpha,beta-hexylenaldehyde
 hexylenic aldehyde
 leaf aldehyde
3-propyl acrolein
beta-propyl acrolein
3-propyl-acrolein
 
 
Notes:
product of lipid peroxidation in the rat liver; a green odor chemical; do not confuse with the hexabarbital synonym, hexenal. Constit. of many foods. Flavouring ingredient
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