EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

acetaldehyde dihexyl acetal
1,1-dihexyloxyethane

Sponsors

CAS Number: 5405-58-3Picture of molecule3D/inchi
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
 
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
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
Substantivity:12 hour(s) at 100.00 %
sweet green ethereal waxy herbal
Odor Description:at 10.00 % in dipropylene glycol. sweet green ethereal waxy herbal
Luebke, William tgsc, (1986)
Odor sample from: J. Manheimer, Inc.
Flavor Type: green
">green grassy leafy melon tropical cilantro metallic
Taste Description: green grassy leafy melon tropical cilantro metallic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Acetaldehyde Di-N-hexyl Acetal
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
 
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
 
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
 
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
 
References:
 1-(1-hexoxyethoxy)hexane
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:5405-58-3
Pubchem (cid):21503
Pubchem (sid):134984539
 
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
 
Potential Blenders and core components note
For Odor
No odor group found for these
(E)-
tiglaldehyde
FL/FR
aldehydic
aldehydic
N/i-
tridecanal
FR
animal
para-
cresyl isobutyrate
FL/FR
balsamic
iso
amyl benzoate
FL/FR
caramellic
maltyl isobutyrate
FL/FR
citrus
2-
heptanol
FL/FR
ethereal
cyclohexyl formate
FL/FR
ethyl 4-pentenoate
FL/FR
ethyl formate
FL/FR
1-
hexen-3-ol
FL/FR
2-
methyl valeraldehyde
FL/FR
propyl formate
FL/FR
fatty
3-
decen-2-one
FL/FR
hexyl pivalate
FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
fermented
3-
methyl-1-pentanol
FL/FR
floral
alpha-
amyl cinnamaldehyde diethyl acetal
FR
citronellal
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
gamma-
damascone
FR
6,8-
dimethyl-2-nonanol
FR
gelsone (IFF)
FL/FR
(E)-
geranyl acetone
FL/FR
geranyl hexanoate
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
lily propanol
FR
octyl acetate
FL/FR
papaya isobutyrate
FL/FR
phenethyl acetate
FL/FR
fruity
acetaldehyde diisoamyl acetal
FL/FR
allyl amyl glycolate
FR
allyl butyrate
FL/FR
iso
amyl butyrate
FL/FR
amyl hexanoate
FL/FR
iso
amyl isovalerate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl 2-cyclohexyl propionate
FR
ethyl 2-octenoate
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl acetoacetate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
geranyl isovalerate
FL/FR
heptanal cyclic ethylene acetal
FR
heptyl isobutyrate
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl 2-methyl-2-pentenoate
FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl (E)-tiglate
FL/FR
hexyl acetate
FL/FR
hexyl isovalerate
FL/FR
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
nerolidyl isobutyrate
FR
octen-1-yl cyclopentanone
FL/FR
octyl butyrate
FL/FR
2-
pentyl furan
FL/FR
4-
phenyl-2-butyl acetate
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl isobutyrate
FL/FR
rhubarb undecane
FR
tetrahydrofurfuryl butyrate
FL/FR
tropical indene
FR
tropical thiazole
FL/FR
green
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde methyl hexyl acetal
FR
alfalfa oil
FL/FR
iso
amyl formate
FL/FR
butyl 2-methyl butyrate
FL/FR
cognac heptanone
FL/FR
alpha-
decalactone
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-4-decenoate
FL/FR
green dioxolane
FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl formate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
(Z)-3-
hexenal
FL/FR
2-
hexenyl acetate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl octanoate
FL/FR
(E)-2-
pentenal
FL/FR
phenoxyethyl isobutyrate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
sorbyl isobutyrate
FL/FR
thiogeraniol
FL/FR
tiglaldehyde
FL/FR
violet dienyne
FR
violet leaf absolute
FL/FR
herbal
beta-
elemene
FL/FR
tricyclodecyl acetate
FR
viridiflorol
FL/FR
spicy
bayberry fragrance
FR
pimenta acris leaf oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
cassis pentanone
FL/FR
passiflora acetate
FL/FR
tropical
beta-
cyclocitral
FL/FR
waxy
9-
decenoic acid
FL/FR
(E)-
methyl geranate
FL/FR
octyl 2-methyl butyrate
FL/FR
woody
sandal cyclopentane
FR
verdoxan
FR
woody acetate
FR
For Flavor
No flavor group found for these
acetaldehyde 1,3-octane diol acetal
FL
acetaldehyde benzyl 2-methoxyethyl acetal
FL/FR
acetaldehyde diisoamyl acetal
FL/FR
allyl tiglate
FL
butyl 2-methyl butyrate
FL/FR
2-
cyclopentyl cyclopentanone
FL/FR
alpha-
decalactone
FL/FR
beta-
elemene
FL/FR
ethyl 3-acetoxyhexanoate
FL/FR
ethyl 4-pentenoate
FL/FR
(E,E)-2,4-
heptadien-1-ol
FL
2-
hexenal
FL
2-
hexenal diethyl acetal
FL
2-
hexenyl acetate
FL/FR
hexyl (E)-2-hexenoate
FL
hexyl propionate
FL/FR
linalyl hexanoate
FL/FR
methyl (E)-2-hexenoate
FL/FR
methyl 2-hexenoate
FL/FR
methyl 4-pentenoate
FL
(E)-
methyl geranate
FL/FR
(E)-2-
methyl-2-octenal
FL
2-
methyl-2-octenal
FL
3-
methyl-3-pentanol
FL
(E,E)-3,5-
octadien-2-one
FL
4-
phenyl-2-butyl acetate
FL/FR
prenyl ethyl ether
FL/FR
prenyl hexanoate
FL/FR
alpha-iso
propyl phenyl acetaldehyde
FL/FR
propylene acetal
FL/FR
(E)-
tiglaldehyde
FL/FR
viridiflorol
FL/FR
sorbyl isobutyrate
FL/FR
alliaceous
alliaceous
tropical thiazole
FL/FR
aromatic
para-
cresyl isobutyrate
FL/FR
berry
heptyl isobutyrate
FL/FR
citrus
cognac heptanone
FL/FR
earthy
1-
hexen-3-yl acetate
FL
estery
ethyl acetoacetate
FL/FR
ethereal
ethyl formate
FL/FR
fatty
ethyl (E)-4-decenoate
FL/FR
floral
citronellal
FL/FR
citronellyl phenyl acetate
FL/FR
citronellyl propionate
FL/FR
(E)-
geranyl acetone
FL/FR
fruity
iso
amyl benzoate
FL/FR
amyl hexanoate
FL/FR
iso
amyl octanoate
FL/FR
iso
amyl propionate
FL/FR
berry pentadienoate
FL/FR
butyl isobutyrate
FL/FR
iso
butyl propionate
FL/FR
cherry pentenoate
FL/FR
diethyl malonate
FL/FR
dimethyl succinate
FL/FR
ethyl (E)-2-hexenoate
FL/FR
ethyl (E)-2-octenoate
FL
ethyl 2-octenoate
FL/FR
ethyl methyl-para-tolyl glycidate
FL/FR
furfuryl propionate
FL
geranyl hexanoate
FL/FR
2-
heptanol
FL/FR
hexanal propylene glycol acetal
FL/FR
2-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-2-hexenoate
FL/FR
(E)-3-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl isobutyrate
FL/FR
hexyl acetate
FL/FR
methyl (E)-3-nonenoate
FL
methyl 3-nonenoate
FL/FR
2-
methyl butyl 2-methyl butyrate
FL/FR
methyl heptanoate
FL/FR
methyl valerate
FL/FR
octen-1-yl cyclopentanone
FL/FR
pineapple pentenoate
FL/FR
prenol
FL/FR
iso
propyl 2-methyl butyrate
FL/FR
propyl formate
FL/FR
propyl isobutyrate
FL/FR
tetrahydrofurfuryl butyrate
FL/FR
tiglaldehyde
FL/FR
green
alfalfa oil
FL/FR
allyl butyrate
FL/FR
iso
amyl formate
FL/FR
iso
amyl isovalerate
FL/FR
cassis pentanone
FL/FR
cyclohexyl formate
FL/FR
3-
decen-2-one
FL/FR
ethyl (E,Z)-2,4-decadienoate
FL/FR
2-
ethyl butyraldehyde
FL
gelsone (IFF)
FL/FR
geranyl isovalerate
FL/FR
heptanal dimethyl acetal
FL/FR
(Z)-3-
hexen-1-yl acetate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl hexanoate
FL/FR
(E)-2-
hexen-1-yl hexanoate
FL/FR
(Z)-3-
hexen-1-yl isovalerate
FL/FR
(E)-2-
hexen-1-yl propionate
FL/FR
(Z)-3-
hexen-1-yl valerate
FL/FR
(E)-2-
hexen-1-yl valerate
FL/FR
1-
hexen-3-ol
FL/FR
(Z)-3-
hexenal
FL/FR
(E)-2-
hexenal diethyl acetal
FL
hexyl (E)-tiglate
FL/FR
hexyl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl isovalerate
FL/FR
hexyl octanoate
FL/FR
methyl 2-undecynoate
FL
papaya isobutyrate
FL/FR
(E)-2-
pentenal
FL/FR
2-
pentyl furan
FL/FR
phenoxyethyl isobutyrate
FL/FR
violet leaf absolute
FL/FR
honey
phenethyl acetate
FL/FR
jammy
maltyl isobutyrate
FL/FR
minty
thiogeraniol
FL/FR
rummy
(E)-2-
hexen-1-yl formate
FL/FR
sour
3-
methyl valeric acid
FL
spicy
pimenta acris leaf oil
FL/FR
sulfurous
buchu mercaptan
FL/FR
methyl 2-(methyl thio) butyrate
FL
methyl thiomethyl butyrate
FL
tropical
beta-
cyclocitral
FL/FR
passiflora acetate
FL/FR
vegetable
2-
methyl valeraldehyde
FL/FR
waxy
iso
amyl butyrate
FL/FR
9-
decenoic acid
FL/FR
alpha-
hexyl cinnamaldehyde
FL/FR
hydroxycitronellal
FL/FR
octyl 2-methyl butyrate
FL/FR
octyl acetate
FL/FR
octyl butyrate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
 
Potential Uses:
FRacacia
FRagrumen aldehyde
 algae
 amaryllis
FRapple green apple
FLartichoke
FL/FRasafoetida
FLasparagus
FRavocado
FRbasil oil replacer
FRbeeswax absolute replacer
 boxwood
 boxwood blossom
 boxwoodberry
FL/FRcajeput
FLcarrot
FL/FRcarrot seed
FRcelery
FRchamomile
FL/FRcilantro
FRclary sage oil replacer
FRclematis
FRcognac
 cortex
FRcostus
FRcucumber
FL/FRcurrant bud absolute replacer
FRdaffodil
FL/FRdill weed
FRelder flower
FRelemi
FRevergreen
FRfennel
FRfern
FRfig
 fir
FRfir balsam
 foliage
FRfruit
FRgalbanum
FRgeranium
 grass
FRgreen
FRgreen grass
FRgreen leaf
FRguava
FRherbal
FRhop
FRhyacinth
FRhydrangea
FRivy
FRjonquil
 leaf
 lettuce
 liverwort
FRlotus
FL/FRmarjoram
FRmimosa
FRnarcissus
FRoregano
FRosmanthus
FRpansy
FL/FRparsley leaf
 pea green pea
FLpear prickly pear
FLpepper bell pepper
FL/FRpine scotch pine
 privet
 privet blossom
FRreseda
FRrhubarb
FRroot beer
FRrose geranium
FL/FRrose leaf
 stem
 strawberry leaf
FLtomato
FRtomato leaf
FL/FRvalerian
FLvegetable
 vegetation tropical hothouse vegetation
 vine
FRviolet leaf
 waxy
 weedy
FRwintergreen
FRwormwood oil replacer
FRyew
 
Occurrence (nature, food, other):note
 cider - 0.01 mg/kg
Search PMC Picture
 
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
 
 
Notes:
Present in strawberry volatiles
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