acetaldehyde butyl ethyl acetal
1-butoxy-1-ethoxyethane
 
Notes:
None found
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CAS Number: 57006-87-8Picture of molecule3D/inchi
Nikkaji Web: J191.483I
CoE Number: 10003
XlogP3-AA: 2.10 (est)
Molecular Weight: 146.22986000
Formula: C8 H18 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate (EFFA, 2010a).
Category: flavoring agents
 
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DG SANTE Food Flavourings: 06.050  1-butoxy-1-ethoxyethane
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.82600 to 0.83200 @  25.00 °C.
Pounds per Gallon - (est).: 6.873 to  6.923
Refractive Index: 1.39600 to 1.40200 @  20.00 °C.
Boiling Point: 148.00 °C. @ 760.00 mm Hg
Vapor Pressure: 3.899000 mmHg @ 25.00 °C. (est)
Flash Point: 88.00 °F. TCC ( 31.20 °C. ) (est)
logP (o/w): 2.041 (est)
Soluble in:
 alcohol
 water, 1068 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
acetaldehyde butyl methyl acetal
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Organoleptic Properties:
 
Odor Type: winey
 
 winey  brandy  rummy  
Odor Description:
at 100.00 %. 
winey brandy rummy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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 acetaldehyde butyl ethyl acetal usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1300 (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
Chewing gum (05.0): --
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 2.0000010.00000
Bakery wares (07.0): 2.0000025.00000
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): 2.0000025.00000
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
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EPA ACToR: Toxicology Data
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Laboratory Chemical Safety Summary : 552119
National Institute of Allergy and Infectious Diseases: Data
 1-(1-ethoxyethoxy)butane
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References:
 1-(1-ethoxyethoxy)butane
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 552119
Pubchem (sid): 40364290
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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
CHEBI: View
HMDB (The Human Metabolome Database): Search
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alcoholic
alcoholic
 fusel oilFL/FR
3-hexanolFL/FR
balsamic
isoamyl pyruvateFL/FR
 cinnamyl butyrateFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
3-phenyl propyl alcoholFL/FR
 terpinyl cinnamateFL/FR
burnt
 rum etherFL/FR
caramellic
 diethyl malateFL/FR
 ethyl cyclopentenoloneFL/FR
chemical
isobutyl formateFL/FR
cocoa
2-methyl butyraldehydeFL/FR
coconut
 propyl octanoateFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
 decyl propionateFL/FR
 ethyl acetateFL/FR
 ethyl formateFL/FR
 ethyl pyruvateFL/FR
1-hexen-3-olFL/FR
 methyl acetateFL/FR
(E)-methyl tiglateFL/FR
2-methyl-1-butanolFL/FR
 propyl formateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fatty
 butyl undecylenateFL/FR
fermented
isoamyl alcoholFL/FR
isobutyl decanoateFL/FR
 ethyl (E)-2-crotonateFL/FR
 ethyl crotonateFL/FR
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
2-pentanolFL/FR
 valeraldehydeFL/FR
floral
 dimethyl anthranilateFL/FR
 ethyl hydrocinnamateFL/FR
 geranyl acetateFL/FR
 hexyl nonanoateFL/FR
 linalyl propionateFL/FR
 methyl citronellateFL/FR
 phenethyl butyrateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
fruity
 acetoin acetateFL/FR
 allyl hexanoateFL/FR
isoamyl 2-methyl butyrateFL/FR
 berry pentadienoateFL/FR
isobutyl 2-butenoateFL/FR
isobutyl acetoacetateFL/FR
 butyl acetoacetateFL/FR
 butyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl formateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl isovalerateFL/FR
isobutyl propionateFL/FR
 cyclohexanone diethyl acetalFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl 2-hexenoateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl isobutyrateFL/FR
 ethyl propionateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 grape butyrateFL/FR
 heptyl isobutyrateFL/FR
3-hexanoneFL/FR
 hexyl valerateFL/FR
 methyl nonanoateFL/FR
 methyl propionateFL/FR
2-pentanoneFL/FR
2-phenyl propyl butyrateFL/FR
 prenyl formateFL/FR
 propyl heptanoateFL/FR
 propyl hexanoateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl acetateFL/FR
green
isoamyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 heptyl acetateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexen-1-yl formateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 phenethyl tiglateFL/FR
herbal
 acetyl tributyl citrateFL/FR
isoamyl tiglateFL/FR
 clary sage concreteFL/FR
white cognac oilFL/FR
 phenethyl senecioateFL/FR
honey
 allyl phenyl acetateFL/FR
 methyl hydrocinnamateFL/FR
rummy
 rum extractFL/FR
 cinnamyl isovalerateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tonka
 saffron resinoidFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl decanoateFL/FR
isoamyl laurateFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 phenethyl octanoateFL/FR
winey
 butyl angelateFL/FR
 heptyl decanoateFL/FR
2-hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 acetyl tributyl citrateFL/FR
 amyl octanoateFL/FR
isoamyl pyruvateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 butyl acetoacetateFL/FR
 butyl angelateFL/FR
isobutyl decanoateFL/FR
 butyl formateFL/FR
2-butyl furanFL
 cyclohexanone diethyl acetalFL/FR
 decyl propionateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 ethyl 2-hexenoateFL/FR
 ethyl aconitateFL
 ethyl cyclohexyl carboxylateFL
 ethyl hydrocinnamateFL/FR
 farnesyl acetoneFL/FR
 fleabane oil (erigeron canadensis)FL
 geranyl acetoacetateFL/FR
 heptyl decanoateFL/FR
2-hexanolFL/FR
(E)-2-hexen-1-yl phenyl acetateFL/FR
 hexyl nonanoateFL/FR
 hexyl valerateFL/FR
2-methyl butyl propionateFL
 methyl hydrocinnamateFL/FR
(E)-methyl tiglateFL/FR
 phenethyl senecioateFL/FR
 prenyl formateFL/FR
 propyl octanoateFL/FR
 sorbyl propionateFL
 strawberry furanone ethyl etherFL
alcoholic
3-hexanolFL/FR
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
berry
 heptyl isobutyrateFL/FR
brown
 tetrahydrofurfuryl acetateFL/FR
burnt
 rum etherFL/FR
caramellic
 pyruvaldehydeFL
earthy
1-hexen-3-yl acetateFL
ethereal
isobutyl alcoholFL/FR
 ethyl acetateFL/FR
 ethyl formateFL/FR
 ethyl isobutyrateFL/FR
 methyl acetateFL/FR
2-methyl-1-butanolFL/FR
fatty
isoamyl laurateFL/FR
 methyl decanoateFL/FR
floral
 methyl citronellateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
fruity
 acetoin acetateFL/FR
 allyl hexanoateFL/FR
isoamyl 2-methyl butyrateFL/FR
isoamyl acetoacetateFL/FR
 berry pentadienoateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
isobutyl butyrateFL/FR
 butyl hexanoateFL/FR
 butyl isobutyrateFL/FR
isobutyl propionateFL/FR
 cinnamyl isovalerateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 ethyl (E)-3-hexenoateFL/FR
 ethyl 2-ethyl acetoacetateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
 ethyl propionateFL/FR
 fusel oilFL/FR
3-hexanoneFL/FR
 hexyl phenyl acetateFL/FR
 methyl propionateFL/FR
2-pentanoneFL/FR
 phenethyl butyrateFL/FR
 phenethyl octanoateFL/FR
 propyl formateFL/FR
 propyl hexanoateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
isovaleraldehyde propylene glycol acetalFL/FR
fusel
isoamyl alcoholFL/FR
green cognac oilFL/FR
white cognac oilFL/FR
2-methyl butyraldehydeFL/FR
green
isoamyl formateFL/FR
 benzaldehyde dimethyl acetalFL/FR
isobutyl 2-butenoateFL/FR
isobutyl isovalerateFL/FR
 geranyl acetateFL/FR
 grape butyrateFL/FR
 heptyl acetateFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl hexanoateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
1-hexen-3-olFL/FR
 hexyl isobutyrateFL/FR
4-methyl-2-pentenalFL
 phenethyl tiglateFL/FR
herbal
 clary sage concreteFL/FR
 linalyl propionateFL/FR
honey
 allyl phenyl acetateFL/FR
jammy
 ethyl cyclopentenoloneFL/FR
musty
 ethyl (E)-2-crotonateFL/FR
2-pentanolFL/FR
 propionaldehydeFL
oily
 tetrahydrofurfuryl propionateFL
rummy
isobutyl formateFL/FR
 ethyl crotonateFL/FR
 ethyl pyruvateFL/FR
(E)-2-hexen-1-yl formateFL/FR
 rumFL
 rum extractFL/FR
spicy
3-phenyl propyl alcoholFL/FR
2-phenyl propyl butyrateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
sweet
 saffron resinoidFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl decanoateFL/FR
 butyl undecylenateFL/FR
 ethyl decanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
(Z)-aconitic acidFL
 cinnamyl butyrateFL/FR
 methyl nonanoateFL/FR
 valeraldehydeFL/FR
woody
 quercus alba chips extractFL
 
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Potential Uses:
 appleFR
 strawberryFR
 wineFR
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Occurrence (nature, food, other): note
 apple fruit
Search  PMC Picture
 brandy
Search  PMC Picture
 rum - 0.5 mg/kg
Search  PMC Picture
 strawberry wild strawberry fruit
Search Trop  Picture
 wine
Search  Picture
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Synonyms:
 butane, 1-(1-ethoxyethoxy)-
1-butoxy-1-ethoxyethane
1-(1-ethoxyethoxy)-butane
1-(1-ethoxyethoxy)butane
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