acetaldehyde dihexyl acetal
1,1-dihexyloxyethane
 
Notes:
Present in strawberry volatiles
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      ACETALDEHYDE DIHEXYL ACETAL
       
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1-(1-hexoxyethoxy)hexane (Click)
CAS Number: 5405-58-3Picture of molecule
ECHA EINECS - REACH Pre-Reg: 226-458-3
Nikkaji Web: J97.284C
CoE Number: 10022
XlogP3-AA: 5.10 (est)
Molecular Weight: 230.39150000
Formula: C14 H30 O2
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance 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
Flavis Number: 06.071 (Old)
DG SANTE Food Flavourings: 06.071  1,1-dihexyloxyethane
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.83300 to 0.83900 @  25.00 °C.
Pounds per Gallon - (est).: 6.931 to  6.981
Refractive Index: 1.42000 to 1.42600 @  20.00 °C.
Boiling Point: 257.00 to  258.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.023000 mm/Hg @ 25.00 °C. (est)
Flash Point: 153.00 °F. TCC ( 67.40 °C. ) (est)
logP (o/w): 5.098 (est)
Soluble in:
 alcohol
 water, 1.25 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 sweet  green  ethereal  waxy  herbal  
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet green ethereal waxy herbal
Luebke, William tgsc, (1986)
 green  grassy  leafy  melon  tropical  cilantro  metallic  
Taste Description:
green grassy leafy melon tropical cilantro metallic
Substantivity: 12 Hour(s)
  
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Cosmetic Information:
None found
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Suppliers:
Grau Aromatics
ACETALDEHYDE-DIHEXYLACETAL
NI, Kosher
Inoue Perfumery
ACETALDEHYDE DIHEXYL ACETAL
Santa Cruz Biotechnology
For experimental / research use only.
Acetaldehyde di-n-hexyl acetal
SRS Aromatics
ACETALDEHYDE DIHEXYL ACETAL
Odor: Sweet, Green, Ethereal, Waxy, Herbal
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Safety Information:
Preferred SDS: View
 
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: flavor and fragrance agents
Recommendation for acetaldehyde dihexyl acetal usage levels up to:
  3.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.67 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1600 (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): 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0): 3.0000015.00000
Processed fruit (04.1): 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 5.0000025.00000
Meat and meat products, including poultry and game (08.0): 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 1.000005.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0): 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 4.0000020.00000
Ready-to-eat savouries (15.0): 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 2.0000010.00000
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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):
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
EPI System: View
EPA Substance Registry Services (TSCA): 5405-58-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 21503
National Institute of Allergy and Infectious Diseases: Data
 1-(1-hexoxyethoxy)hexane
Chemidplus: 0005405583
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References:
 1-(1-hexoxyethoxy)hexane
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 5405-58-3
Pubchem (cid): 21503
Pubchem (sid): 134984539
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (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): HMDB38678
FooDB: FDB018082
Export Tariff Code: 2911.00.5000
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
No odor group found for these
(E)-tiglaldehydeFL/FR
aldehydic
N/i-tridecanalFR
animal
para-cresyl isobutyrateFL/FR
balsamic
isoamyl benzoateFL/FR
caramellic
 maltyl isobutyrateFL/FR
citrus
2-heptanolFL/FR
ethereal
 cyclohexyl formateFL/FR
 ethyl 4-pentenoateFL/FR
 ethyl formateFL/FR
1-hexen-3-olFL/FR
2-methyl valeraldehydeFL/FR
 propyl formateFL/FR
fatty
3-decen-2-oneFL/FR
 hexyl pivalateFR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
fermented
3-methyl-1-pentanolFL/FR
floral
alpha-amyl cinnamaldehyde diethyl acetalFR
 citronellalFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
gamma-damasconeFR
6,8-dimethyl-2-nonanolFR
 gelsone (IFF)FL/FR
(E)-geranyl acetoneFL/FR
 geranyl hexanoateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 lily propanolFR
 octyl acetateFL/FR
 papaya isobutyrateFL/FR
 phenethyl acetateFL/FR
fruity
 acetaldehyde diisoamyl acetalFL/FR
 allyl amyl glycolateFR
 allyl butyrateFL/FR
isoamyl butyrateFL/FR
 amyl hexanoateFL/FR
isoamyl isovalerateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
2-cyclopentyl cyclopentanoneFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl 2-cyclohexyl propionateFR
 ethyl 2-octenoateFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl tiglate 
 heptanal cyclic ethylene acetalFR
 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 isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 hexyl isovalerateFL/FR
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 nerolidyl isobutyrateFR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
2-pentyl furanFL/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 isobutyrateFL/FR
 propylene glycol monohexanoate 
 rhubarb undecaneFR
 tetrahydrofurfuryl butyrateFL/FR
 tropical indeneFR
 tropical thiazoleFL/FR
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde methyl hexyl acetalFR
 alfalfa oilFL/FR
isoamyl formateFL/FR
 butyl 2-methyl butyrateFL/FR
 cognac heptanoneFL/FR
alpha-decalactoneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-4-decenoateFL/FR
 green dioxolaneFR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(E)-2-hexen-1-yl hexanoateFL/FR
(Z)-3-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
2-hexenyl acetateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl octanoateFL/FR
(E)-2-pentenalFL/FR
 phenoxyethyl isobutyrateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 sorbyl isobutyrateFL/FR
 thiogeraniolFL/FR
 tiglaldehydeFL/FR
 violet dienyneFR
 violet leaf absoluteFL/FR
herbal
beta-elemeneFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
minty
beta-cyclocitralFL/FR
spicy
 bayberry fragranceFR
 pimenta acris leaf oilFL/FR
sulfurous
 buchu mercaptanFL/FR
 cassis pentanoneFL/FR
 passiflora acetateFL/FR
waxy
9-decenoic acidFL/FR
(E,E)-2,4-dodecadien-1-ol 
(E)-methyl geranateFL/FR
 octyl 2-methyl butyrateFL/FR
woody
 sandal cyclopentaneFR
 verdoxanFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 acetaldehyde 1,3-octane diol acetalFL
 acetaldehyde benzyl 2-methoxyethyl acetalFL/FR
 acetaldehyde diisoamyl acetalFL/FR
 allyl tiglateFL
 butyl 2-methyl butyrateFL/FR
beta-cyclocitralFL/FR
2-cyclopentyl cyclopentanoneFL/FR
alpha-decalactoneFL/FR
(E,E)-2,4-dodecadien-1-ol 
beta-elemeneFL/FR
 ethyl 3-acetoxyhexanoateFL/FR
 ethyl 4-pentenoateFL/FR
 geranyl hexanoateFL/FR
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hexen-1-yl (E)-2-hexenoateFL/FR
2-hexenalFL
2-hexenal diethyl acetalFL
2-hexenyl acetateFL/FR
 hexyl (E)-2-hexenoateFL
 hexyl propionateFL/FR
 linalyl hexanoateFL/FR
 methyl (E)-2-hexenoateFL/FR
 methyl 2-hexenoateFL/FR
 methyl 4-pentenoateFL
(E)-methyl geranateFL/FR
2-methyl-2-octenalFL
(E)-2-methyl-2-octenalFL
3-methyl-3-pentanolFL
(E,E)-3,5-octadien-2-oneFL
 octyl acetateFL/FR
4-phenyl-2-butyl acetateFL/FR
 prenyl ethyl etherFL/FR
 prenyl hexanoateFL/FR
alpha-isopropyl phenyl acetaldehydeFL/FR
 propylene acetalFL/FR
 propylene glycol monohexanoate 
(E)-tiglaldehydeFL/FR
 viridiflorolFL/FR
 gelsone (IFF)FL/FR
 sorbyl isobutyrateFL/FR
alliaceous
 tropical thiazoleFL/FR
aromatic
para-cresyl isobutyrateFL/FR
berry
 heptyl isobutyrateFL/FR
citrus
 cognac heptanoneFL/FR
earthy
1-hexen-3-yl acetateFL
estery
 ethyl acetoacetateFL/FR
ethereal
 ethyl formateFL/FR
fatty
 ethyl (E)-4-decenoateFL/FR
floral
 citronellalFL/FR
 citronellyl phenyl acetateFL/FR
 citronellyl propionateFL/FR
(E)-geranyl acetoneFL/FR
fruity
isoamyl benzoateFL/FR
 amyl hexanoateFL/FR
isoamyl octanoateFL/FR
isoamyl propionateFL/FR
 berry pentadienoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cherry pentenoateFL/FR
 diethyl malonateFL/FR
 dimethyl succinateFL/FR
 ethyl (E)-2-hexenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-octenoateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 furfuryl propionateFL
 geranyl methyl tiglate 
2-heptanolFL/FR
 hexanal propylene glycol acetalFL/FR
2-hexen-1-olFL/FR
(E)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl acetateFL/FR
 methyl (E)-3-nonenoateFL
 methyl 3-nonenoateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl heptanoateFL/FR
 methyl valerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 pineapple pentenoateFL/FR
 prenolFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl formateFL/FR
 propyl isobutyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
 tiglaldehydeFL/FR
green
 alfalfa oilFL/FR
 allyl butyrateFL/FR
isoamyl formateFL/FR
isoamyl isovalerateFL/FR
 cassis pentanoneFL/FR
 cyclohexyl formateFL/FR
3-decen-2-oneFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
2-ethyl butyraldehydeFL
 geranyl isovalerateFL/FR
 heptanal dimethyl acetalFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(E)-2-hexen-1-yl acetateFL/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
1-hexen-3-olFL/FR
(Z)-3-hexenalFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl isovalerateFL/FR
 hexyl octanoateFL/FR
 methyl 2-undecynoateFL
 papaya isobutyrateFL/FR
(E)-2-pentenalFL/FR
2-pentyl furanFL/FR
 phenoxyethyl isobutyrateFL/FR
 violet leaf absoluteFL/FR
honey
 phenethyl acetateFL/FR
jammy
 maltyl isobutyrateFL/FR
minty
 thiogeraniolFL/FR
rummy
(E)-2-hexen-1-yl formateFL/FR
sour
3-methyl valeric acidFL
spicy
 pimenta acris leaf oilFL/FR
sulfurous
 buchu mercaptanFL/FR
 methyl 2-(methyl thio) butyrateFL
 methyl thiomethyl butyrateFL
tropical
 passiflora acetateFL/FR
vegetable
2-methyl valeraldehydeFL/FR
waxy
isoamyl butyrateFL/FR
9-decenoic acidFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hydroxycitronellalFL/FR
 octyl 2-methyl butyrateFL/FR
 octyl butyrateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
 
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Potential Uses:
 acacia cassie farnesianaFR
 agrumen 
 algae 
 amaryllis 
 apple greenFR
 artichoke 
 asafetidaFL/FR
 asparagus 
 avocadoFR
 basilFL/FR
 beeswax cire d'abeilleFL/FR
 boxwood 
 boxwood blossom 
 boxwoodberry 
 cajuputFL/FR
 carrotFL
 carrot seedFL/FR
 cassis black currant budFL/FR
 celeryFL/FR
 chamomileFR
 yewFR
 cilantroFL/FR
 clary sageFL/FR
 clematisFR
 cognacFR
 cortex 
 costusFL
 cucumberFR
 daffodil narcissusFR
 dillFL/FR
 elder flowerFR
 elemiFL/FR
 evergreenFR
 fennelFL/FR
 fern fougereFR
 figFR
 fir 
 fir balsamFR
 foliage 
 fruitFR
 galbanumFL/FR
 geraniumFR
 grass 
 greenFR
 green grassFR
 green leafFR
 guavaFR
 herbalFR
 hops houblonFL/FR
 hyacinth jacintheFR
 hydrangeaFR
 ivyFR
 jonquil narcissus jonquillaFR
 leaf 
 lettuce 
 liverwort 
 lotusFR
 marjoramFL/FR
 mimosaFR
 narcissus narcisseFR
 oreganoFL/FR
 osmanthusFL/FR
 pansyFR
 parsleyFL/FR
 pea green pea 
 pear prickly pear 
 pepper greenFL
 pine needle scotchFL/FR
 privet 
 privet blossom 
 reseda mignonetteFR
 rhubarbFR
 root beerFR
 rose geraniumFR
 rose leafFL/FR
 stem 
 strawberry leaf 
 tomatoFL
 tomato leafFR
 valerianFL/FR
 vegetable 
 vegetation tropical hothouse vegetation 
 vine 
 violet leafFL/FR
 waxy 
 weedy 
 wintergreenFR
 wormwood absinthiumFL/FR
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Occurrence (nature, food, other): note
 cider - 0.01 mg/kg
Search  Picture
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Synonyms:
 acetaldehyde-dihexylacetal
 acetaldehyde, dihexyl acetal
1,1-di-n-hexyloxyethane
1,1-di(hexyl oxy) ethane
1,1-di(hexyloxy)ethane
1,1-dihexyloxyethane
 ethylidene bis(oxy) dihexane
1,1'-(ethylidene bis(oxy)) bishexane
 ethylidenebis(oxy)dihexane
 hexane, 1,1'-(ethylidenebis(oxy))bis-
 hexane, 1,1'-[ethylidenebis(oxy)]bis-
1-(1-hexoxyethoxy) hexane
1-(1-hexoxyethoxy)hexane
1-[1-(hexyloxy)ethoxy]hexane
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