2-hexenal diethyl acetal
1,1-diethoxy-2-hexene
 
Notes:
Flavouring ingredient. [CCD]
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CAS Number: 54306-00-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 259-086-5
CoE Number: 2135
XlogP3-AA: 2.60 (est)
Molecular Weight: 172.26780000
Formula: C10 H20 O2
NMR Predictor: Predict (works with chrome 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
 
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DG SANTE Food Flavourings: 06.031  1,1-diethoxyhex-2-ene
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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
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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).
 
 
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Cosmetic Information:
None found
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Suppliers:
Apple Flavor & Fragrance
trans-2-Hexenyl diethyl acetal
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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
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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 (05.0): 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): --
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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
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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
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References:
 1,1-diethoxyhex-2-ene
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 93366
Pubchem (sid): 135066716
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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
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
animal
para-cresyl isobutyrateFL/FR
 methyl (E)-2-octenoateFL/FR
balsamic
isoamyl benzoateFL/FR
citrus
2-heptanolFL/FR
 cyclohexyl formateFL/FR
2-methyl valeraldehydeFL/FR
fatty
3-decen-2-oneFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
 hexanal diethyl acetalFL/FR
3-methyl-1-pentanolFL/FR
floral
 boronia absoluteFL/FR
 citronellyl propionateFL/FR
alpha-damasconeFL/FR
gamma-damasconeFR
(Z)-alpha-damasconeFL/FR
 dihydrocarvyl acetateFL/FR
(±)-2,3-dihydrofarnesolFL/FR
(E)-geranyl acetoneFL/FR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 hexyl lactateFL/FR
 hexyl nonanoateFL/FR
(Z)-jasmoneFL/FR
para-methyl benzyl acetateFL/FR
 methyl citronellateFL/FR
 papaya isobutyrateFL/FR
fruity
 acetaldehyde dihexyl acetalFL/FR
 acetaldehyde hexyl isoamyl acetalFL/FR
 allyl butyrateFL/FR
 amyl 2-methyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 berry pentadienoateFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl octanoateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl hexanoateFL/FR
 cyclohexyl butyrateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
(E)-alpha-damasconeFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-hexenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl acetoacetateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl ethyl etherFL/FR
 geranyl isovalerateFL/FR
2-heptyl butyrateFL/FR
 heptyl isobutyrateFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl 2-methyl-2-pentenoateFR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 linalyl hexanoateFL/FR
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl isovalerateFL/FR
 methyl octadienoateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
 nerolidyl isobutyrateFR
 nonyl isovalerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/FR
3-phenyl propyl hexanoateFL/FR
4-phenyl-2-butyl acetateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl 2-methyl butyrateFL/FR
 propyl heptanoateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 sorbyl butyrateFL/FR
(E,E)-sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical thiazoleFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
 butyl heptanoateFL/FR
 cognac heptanoneFL/FR
black currant bud absolute replacerFL/FR
alpha-decalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green note propionateFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
2-hexenyl acetateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
 manzanate (Givaudan)FL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl R-3-acetoxyhexanoate 
3-octyl formateFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propyl tiglateFL/FR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
herbal
(1S,5R)-myrtenyl acetateFL/FR
2-pentyl acetateFL/FR
 tagete oil indiaFL/FR
 viridiflorolFL/FR
minty
 carvyl acetateFL/FR
spicy
 cinnamyl isovalerateFL/FR
 cinnamyl propionateFL/FR
sulfurous
 buchu mercaptanFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
tropical
beta-cyclocitralFL/FR
waxy
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl decanoateFL/FR
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
winey
 methyl 3-acetoxyoctanoateFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde hexyl isoamyl acetalFL/FR
 actinidia chinensis fruit juiceFL
 allyl levulinateFL
 allyl tiglateFL
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isobutyl octanoateFL/FR
 cinnamyl hexanoateFL/FR
 cyclohexyl butyrateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
(Z)-alpha-damasconeFL/FR
alpha-decalactoneFL/FR
2,5-diethyl-4-propyl thiazoleFL
(±)-2,3-dihydrofarnesolFL/FR
(E,E)-2,4-dodecadien-1-ol 
 ethyl 2-(methyl thio) acetateFL
 ethyl 2-hexenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl bicyclo(2.2.1)-5-heptene-2-carboxylateFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl ethyl etherFL/FR
(E,E)-2,4-heptadien-1-olFL
2-heptyl butyrateFL/FR
 hexanal diethyl acetalFL/FR
(E)-3-hexenalFL
2-hexenalFL
(E)-2-hexenal propylene glycol acetalFL/FR
3-hexenyl acetateFL/FR
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
2-hexyl acetateFL
 hexyl nonanoateFL/FR
 hexyl propionateFL/FR
 hexyl valerateFL/FR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 3-acetoxyoctanoateFL/FR
 methyl 3-hydroxybutyrateFL
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
 methyl octadienoateFL/FR
(E)-2-methyl-2-octenalFL
2-methyl-2-octenalFL
2-methyl-3-heptanoneFL
3-methyl-3-pentanolFL
 nonyl isovalerateFL/FR
(E,E)-3,5-octadien-2-oneFL
3-octyl butyrateFL
4-phenyl-2-butyl acetateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
 propyl 2-methyl butyrateFL/FR
isopropyl isovalerateFL/FR
 propyl isovalerateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propyl tiglateFL/FR
 propylene acetalFL/FR
(E,E)-sorbyl butyrateFL/FR
(E,E)-sorbyl isobutyrateFL/FR
(E)-tiglaldehydeFL/FR
 viridiflorolFL/FR
isoamyl 3-(2-furan) propionateFL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
cooling
 manzanate (Givaudan)FL/FR
creamy
2,4-heptadienalFL
dairy
2-pentyl acetateFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 cinnamyl propionateFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
(E)-geranyl acetoneFL/FR
 geranyl isobutyrateFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
 methyl citronellateFL/FR
fruity
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl octanoateFL/FR
 apple ketalFL/FR
 benzyl isovalerateFL/FR
 berry pentadienoateFL/FR
 boronia absoluteFL/FR
 butyl 2-methyl butyrateFL/FR
 butyl heptanoateFL/FR
 butyl isobutyrateFL/FR
 butyl isovalerateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 cinnamyl isovalerateFL/FR
black currant bud absolute replacerFL/FR
alpha-damasconeFL/FR
(E)-alpha-damasconeFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl isovalerateFL/FR
 ethyl levulinateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 furfuryl propionateFL
2-heptanolFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
 hexyl acetateFL/FR
 hexyl lactateFL/FR
 kiwi distillatesFL
 methyl (E)-2-octenoateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 2-methyl butyrateFL/FR
 methyl 3-nonenoateFL/FR
para-methyl benzyl acetateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
2-methyl butyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
3-methyl-2-butenalFL/FR
(Z)-3-nonen-1-yl acetateFL
(Z)-5-octen-1-yl acetateFL
 octen-1-yl cyclopentanoneFL/FR
3-phenyl propyl hexanoateFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tropical trithianeFL/FR
green
 acetaldehyde dihexyl acetalFL/FR
 actinidia chinensis fruit extractFL/FR
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 geranyl formateFL/FR
 geranyl isovalerateFL/FR
 green note propionateFL/FR
(E,E)-2,4-hexadienalFL
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl isovalerateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL/FR
(Z)-3-hexen-1-yl valerateFL/FR
(Z)-3-hexenalFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl (E)-3-hexenoateFL/FR
 methyl 2-undecynoateFL
 methyl R-3-acetoxyhexanoate 
4-methyl-2-pentenalFL
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
 thiogeraniolFL/FR
herbal
 tagete oil indiaFL/FR
minty
 carvyl acetateFL/FR
pungent
 acetaldehydeFL
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
sulfurous
 buchu mercaptanFL/FR
tropical
beta-cyclocitralFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
 ethyl decanoateFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
3-octyl formateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
woody
(Z)-jasmoneFL/FR
(1S,5R)-myrtenyl acetateFL/FR
 
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Potential Uses:
 appleFL
 apple green appleFL
 freshener 
 fruitFR
 greenFL
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Occurrence (nature, food, other): note
 not found in nature
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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
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