(E)-2-hexenal diethyl acetal

General Material Information

Preferred name	(E)-2-hexenal diethyl acetal
Trivial Name	trans-2-Hexenal diethyl acetal
Short Description	trans-2-hexenal diethyl acetal
Formula	C10 H20 O2
CAS Number	67746-30-9
FEMA Number	4047
ECHA Number	266-989-8
FDA UNII	1UMD1RAR3Q
Nikkaji Number	J208.591G
MDL	MFCD00009472
COE Number	6031
xLogP3-AA	2.60 (est)
NMR Predictor	External link
JECFA Food Flavoring	1383 (E)-2-hexenal diethyl acetal
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	67746-30-9 ; (E)-2-HEXENAL DIETHYL ACETAL
Synonyms	1,1-diethoxy-(E)-2-hexene (2E)-1,1-diethoxy-2-hexene (2E)-1,1-diethoxyhex-2-ene (E)-1,1-diethoxyhex-2-ene trans-1,1-diethoxyhex-2-ene (E)-2-hexen-1-al diethyl acetal trans-2-hexen-1-al diethyl acetal trans-2-hexenal DEA (E)-2-hexenal diethyl acetal T2 hexenal diethyl acetal trans-2-hexenal diethyl acetal 2-hexenal diethyl acetal, trans trans-2-hexenal diethylacetal 2-hexene, 1,1-diethoxy-, (2E)- 2-hexene, 1,1-diethoxy-, (E)- (E)-1,1-diethoxyhex-2-ene 2-Hexene, 1,1-diethoxy-, (2E)- 2-Hexene, 1,1-diethoxy-, (E)- (2E)-1,1-Diethoxy-2-hexene trans-2-Hexenal diethyl acetal (E)-1,1-Diethoxy-2-hexene Leafaldehyde diethyl acetal

Publications by PubMed
Microbial populations of Botrytis cinerea-inoculated strawberry fruit exposed to four volatile compounds.

(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):	HMDB29760
Export Tariff Code:	2911.00.5000
ChemSpider:	View

Bedoukian Research	Beijing Lys Chemicals
BOC Sciences	EGNO Chimie
FCI SAS	Inoue Perfumery
Kingchem Laboratories	Penta International
Santa Cruz Biotechnology	Synerzine
TCI AMERICA	Tianjin Danjun International
Penta International Corporation	Tianjin Danjun International Trade Co., LTD.

Material listed in food chemical codex	No
Molecular weight	172.26780700684
Vapor Pressure	0.704 mmHg @ 25 °C
Vapor Density	1
Flash Point TCC Value	65.56 °C TCC
logP (o/w)	3.302 est
Solubility
alcohol	Yes
water, 179.9 mg/L @ 25 °C (est)	Yes
water	No
Stability
alkalis	Unspecified

Odor Type: Fruity
green, peppery, dry, rooty, fatty, spicy, celery, caraway
Odor strength	medium , recommend smelling in a 10.00 % solution or less
Substantivity	1 hour(s) at 100.00 %
Luebke, William tgsc, (2009)	At 10.00 % in dipropylene glycol. green pepper dry rooty fatty spicy celery caraway
Flavor Type: Green
green, caraway, fatty, melon rind, grassy, winey
Luebke, William tgsc, (2009)	Green caraway fatty melon rind grassy winey
Overripe fruit notes for apple, pear and other types of fruit flavors.	Overripe fruity notes, along with wine notes
General comment	Mild green fruity taste close to green apple

Applications	flavoring agents
Odor purposes	Fruit
Flavoring purposes	Apple , Apple green apple , Green
Other purposes	Freshener
Cosmetic purposes	Not used anymore

Preferred SDS: View
European information :
Most important hazard(s):
Xn - Harmful.
R 22 - Harmful if swallowed. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection.

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 860 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 345, 1988.
Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 345, 1988. skin-guinea pig LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 26, Pg. 345, 1988.
Inhalation Toxicity:
Not determined

Category:
flavoring agents
IFRA Critical Effect:
Dermal sensitization
	View the IFRA Standard
Recommendation for (E)-2-hexenal diethyl acetal usage levels up to:
	PROHIBITED: Should not be used as a fragrance ingredient.

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 ppm	average maximum ppm
baked goods:		-	-
beverages(nonalcoholic):		1.00000	15.00000
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:		-	-
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:		-	-