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2-hexenal diethyl acetal

Chemical Structure

General Material Information

Preferred name 2-hexenal diethyl acetal
Trivial Name 1,1-Diethoxy-2-hexene
Short Description 1,1-diethoxy-2-hexene
Formula C10 H20 O2
CAS Number 54306-00-2
Flavis Number 6.031
ECHA Number 259-086-5
FDA UNII Search
COE Number 2135
xLogP3-AA 2.60 (est)
NMR Predictor External link
Synonyms
  • 1,1-diethoxy-2-hexene
  • 1,1-diethoxyhex-2-ene
  • 2-hexen-1-al diethyl acetal
  • 2-hexene, 1,1-diethoxy-
  • trans-2-hexenyl diethyl acetal
  • 1,1-diethoxyhex-2-ene
  • 2-Hexene, 1,1-diethoxy-
  • 1,1-Diethoxy-2-hexene
  • 2-Hexenal diethylacetal

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

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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
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 172.26780700684
Specific gravity @ 25 °C
Pounds per Gallon 7.015 to 7.065
Refractive Index 1.418 to 1.426 @ 20 °C
Vapor Pressure 0.704 mmHg @ 25 °C
Flash Point TCC Value 65.56 °C TCC
logP (o/w) 3.299 est
Solubility
alcohol Yes
water, 179.9 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Green
green, fruity, apple green apple
General comment At 100.00 %. green fruity green apple

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Apple, Apple green apple, Green
Other purposes Freshener

Safety Information

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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 5.7000012.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 1.5000014.25000
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): 5.000005.03000
Confectionery (05.0): 5.5000014.46000
Chewing gum (05.3): 6.0200020.87000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 4.8000011.55000
Bakery wares (07.0): 6.0000017.00000
Meat and meat products, including poultry and game (08.0): 0.900002.98000
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): 2.000005.00000
Foodstuffs intended for particular nutritional uses (13.0): --
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.000004.43000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 1.000002.00000
Ready-to-eat savouries (15.0): 2.500004.50000
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,ß-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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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