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(Z)-4-heptenal diethyl acetal

General Material Information

Preferred name	(Z)-4-heptenal diethyl acetal
Trivial Name	(3Z)-7,7-Diethoxy-3-heptene
Short Description	cis-4-heptenal diethyl acetal
Formula	C11 H22 O2
CAS Number	18492-65-4
FEMA Number	3349
ECHA Number	242-376-0
FDA UNII	0U0N38Q28S
Nikkaji Number	J222.219A
xLogP3-AA	3.00 (est)
NMR Predictor	External link
JECFA Food Flavoring	949 cis-4-heptenal diethyl acetal
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	977044-50-0 ; 4-HEPTENAL DIETHYL ACETAL
Synonyms	1,1-diethoxy-cis-4-heptene (Z)-7,7-diethoxyhept-3-ene cis-7,7-diethoxyhept-3-ene 1,1-diethoxyhept-4-ene (Z)-4-hepten-1-al diethyl acetal cis-4-hepten-1-al diethyl acetal cis-4-heptenal diethyl acetal 3-heptene, 7,7-diethoxy-, (3Z)- 3-heptene, 7,7-diethoxy-, (Z)- (Z)-7,7-diethoxyhept-3-ene 3-Heptene, 7,7-diethoxy-, (3Z)- 4-Heptenal, diethyl acetal, (Z)- 3-Heptene, 7,7-diethoxy-, (Z)- (3Z)-7,7-Diethoxy-3-heptene

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

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NCBI	Start search

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):	HMDB32306
FooDB:	FDB017563
Export Tariff Code:	2911.00.5000
ChemSpider:	View

Suppliers

Bedoukian Research	BOC Sciences
Penta International	Bedoukian Research, Inc.
Penta International Corporation

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	186.29473876953
Specific gravity	@ 25 °C
Pounds per Gallon	6.99 to 7.156
Refractive Index	1.42 to 1.44 @ 20 °C
Acid Value	1 max KOH/g
Vapor Pressure	0.123 mmHg @ 25 °C
Vapor Density	1
Flash Point TCC Value	71.11 °C TCC
logP (o/w)	3.253 est
Solubility
alcohol	Yes
water, slightly	Yes
water, 58.56 mg/L @ 25 °C (est)	Yes
water	No
Stability
alkalis	Unspecified

Organoleptic Properties

Odor Type: Green
green, oily, cucumber, seedy, waxy, fatty, creamy, dry, salty, fishy, fruity, vegetable, apple, herbal
Odor strength	medium
Substantivity	6 hour(s) at 100.00 %
Luebke, William tgsc, (2009)	At 100.00 %. green oily cucumber seed waxy fatty creamy dry salt fishy
Mosciano, Gerard P&F 16, No. 4, 45, (1991)	Green fruity, waxy, plant and vegetable like with an apple and herbal nuance
Flavor Type: Green
green, dairy, creamy, apple, vegetable, strawberry
Mosciano, Gerard P&F 16, No. 4, 45, (1991)	At 20.00 ppm. Green, dairy-like, creamy, apple, vagetable and strawberry
A subtle cream note useful in vanilla and dairy applications.	Creamy

Potential Uses

Applications	flavor and fragrance agents
Odor purposes	Butterscotch, Cream, Toffee, Vanilla
Flavoring purposes	Cookie, Fat

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes.

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:
Not determined
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 (Z)-4-heptenal diethyl acetal usage levels up to:
	2.0000 % in the fragrance concentrate.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.037 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		0.00 (μg/capita/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: 6
Click here to view publication 6
		average usual ppm	average maximum ppm
baked goods:		-	1.00000
beverages(nonalcoholic):		-	1.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	1.00000
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	1.00000
hard candy:		-	1.00000
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	1.00000
milk products:		-	1.00000
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	-
soups:		-	1.00000
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):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 3 (FGE.03); Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and a orthoester of formic acid, from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission
View page or View pdf

Flavouring Group Evaluation 61 (FGE.61): Consideration of aliphatic acyclic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf

Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 3, Revision 2 (FGE.03Rev2): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 and 4
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 61 Revision 2 (FGE.61Rev2): consideration of aliphatic acetals evaluated by JECFA (57th, 63rd and 68th meetings) structurally related to acetals evaluated by EFSA in FGE.03Rev2
View page or View pdf

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):18492-65-4

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :5369371

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

(Z)-7,7-diethoxyhept-3-ene

Chemidplus:0018492654