2-hexenal diethyl acetal
1,1-diethoxy-2-hexene

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Name:	1,1-diethoxyhex-2-ene
CAS Number:	54306-00-2	3D/inchi
ECHA EINECS - REACH Pre-Reg:	259-086-5
FDA UNII:	Search
CoE Number:	2135
XlogP3-AA:	2.60 (est)
Molecular Weight:	172.26780000
Formula:	C10 H20 O2
NMR Predictor:	Predict (works with chrome, Edge or firefox)
Also(can) Contains:	(E)-2-hexenal diethyl acetal
EFSA/JECFA Comments:
The chemical name should be changed to 1,1-Diethoxyhex-(2E)-ene and its CAS nr to (67746-30-9), to refect the stereochemical confguration of the favouring substance The purity requirement for the named compound [FL-no: 06.031] in the UL should be updated according to the specifcations provided (Documentation provided to EFSA n. 2)

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
DG SANTE Food Flavourings:	06.031 1,1-diethoxyhex-2-ene

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	95.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Specific Gravity:	0.84300 to 0.84900 @ 25.00 °C.
Pounds per Gallon - (est).:	7.015 to 7.065
Refractive Index:	1.41800 to 1.42600 @ 20.00 °C.
Boiling Point:	191.76 °C. @ 760.00 mm Hg (est)
Vapor Pressure:	0.704000 mmHg @ 25.00 °C. (est)
Flash Point:	150.00 °F. TCC ( 65.56 °C. )
logP (o/w):	3.299 (est)
Soluble in:
	alcohol
	water, 179.9 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

Odor Type: green

green fruity apple green apple

Odor Description:at 100.00 %. green fruity green apple

Odor and/or flavor descriptions from others (if found).

Cosmetic Information:

None found

Suppliers:

Apple Flavor & Fragrance

trans-2-Hexenyl diethyl acetal

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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in Use Information:

Category:
flavoring agents
Recommendation for 2-hexenal diethyl acetal usage levels up to:
	not for fragrance use.

Maximised Survey-derived Daily Intakes (MSDI-EU):		0.01 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		1700 (μg/person/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I

Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		5.70000	12.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		1.50000	14.25000
Edible ices, including sherbet and sorbet (03.0):		-	-
Processed fruit (04.1):		-	-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		5.00000	5.03000
Confectionery (05.0):		5.50000	14.46000
Chewing gum (05.3):		6.02000	20.87000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		4.80000	11.55000
Bakery wares (07.0):		6.00000	17.00000
Meat and meat products, including poultry and game (08.0):		0.90000	2.98000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		-	-
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		2.00000	5.00000
Foodstuffs intended for particular nutritional uses (13.0):		-	-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		2.00000	4.43000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		1.00000	2.00000
Ready-to-eat savouries (15.0):		2.50000	4.50000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		-	-

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

Scientific Opinion on Flavouring Group Evaluation 200, Revision 1 (FGE.200 Rev.1): 74 a,�-unsaturated aliphatic aldehydes and precursors from chemical subgroup 1.1.1 of FGE.19
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

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EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :93366

National Institute of Allergy and Infectious Diseases:Data

1,1-diethoxyhex-2-ene

Chemidplus:0054306002

References:

	1,1-diethoxyhex-2-ene
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	93366
Pubchem (sid):	135066716

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
HMDB (The Human Metabolome Database):	HMDB29760
FooDB:	FDB000965
Export Tariff Code:	2911.00.0000
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