acetaldehyde butyl phenethyl acetal
1-butoxy-1-(2-phenylethoxy)ethane
 
Notes:
Flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours
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      Product(s):
      64577-91-9 2-Butoxy-2-phenylethoxyethane 95%
       
  • CSA
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CAS Number: 64577-91-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 264-948-9
FDA UNII: KZ6JI8OWWE
Nikkaji Web: J307.253C
CoE Number: 10007
XlogP3-AA: 3.70 (est)
Molecular Weight: 222.32774000
Formula: C14 H22 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate.
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
JECFA Food Flavoring: 1001  acetaldehyde butyl phenethyl acetal
FLAVIS Number: 06.036 (Old)
DG SANTE Food Flavourings: 06.036  1-butoxy-1-(2-phenylethoxy)ethane
FEMA Number: 3125  acetaldehyde butyl phenethyl acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):64577-91-9 ; ACETALDEHYDE, BUTYL PHENETHYL ACETAL
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.92300 to 0.93500 @  25.00 °C.
Pounds per Gallon - (est).: 7.680 to  7.780
Refractive Index: 1.46700 to 1.48100 @  20.00 °C.
Boiling Point: 280.00 to  282.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.007000 mmHg @ 25.00 °C. (est)
Flash Point: 195.00 °F. TCC ( 90.60 °C. ) (est)
logP (o/w): 3.549 (est)
Soluble in:
 alcohol
 water, 15.78 mg/L @ 25 °C (est)
Insoluble in:
 water
Stability:
 alkalis
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Organoleptic Properties:
 
Odor Type: green
 
Odor Strength: medium
 
 green  leafy  vegetable  
Odor Description:
at 100.00 %. 
green leafy vegetable
 
 
Flavor Type: green
 
 pepper bell pepper  green  vegetable  
Taste Description:
green pepper
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
2-Butoxy-2-phenylethoxyethane 95%
Parchem
acetaldehyde butyl phenethyl acetal
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: flavor and fragrance agents
Recommendation for acetaldehyde butyl phenethyl acetal usage levels up to:
  0.5000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Structure Class: I
Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 4
Click here to view publication 4
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -5.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: -5.00000
granulated sugar: --
gravies: --
hard candy: -5.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: --
sugar substitutes: --
sweet sauces: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of phenethyl alcohol, aldehydes, acids, and related acetals and esters used as flavor ingredients. View pdf
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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 64577-91-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 62876
National Institute of Allergy and Infectious Diseases: Data
 2-(1-butoxyethoxy)ethylbenzene
Chemidplus: 0064577919
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References:
 2-(1-butoxyethoxy)ethylbenzene
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 64577-91-9
Pubchem (cid): 62876
Pubchem (sid): 135019481
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB37820
FooDB: FDB016965
Export Tariff Code: 2911.00.5000
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
alliaceous
 dibutyl sulfideFL/FR
 dipropyl disulfideFL/FR
camphoreous
 hinoki leaf oilFR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
chocolate
2,4,5-trimethyl thiazoleFL/FR
citrus
 methyl heptenoneFL/FR
 neroli ketoneFR
 petitgrain combava oilFR
(E)-2-tetradecenalFL/FR
coumarinic
 phthalideFL/FR
earthy
2-ethyl-3-methoxypyrazineFL/FR
ethereal
2-methyl valeraldehydeFL/FR
fatty
(Z)-2-octenal 
(E)-2-octenalFL/FR
floral
 allyl anthranilateFL/FR
 geranium pyranFR
 geranium specialtyFR
 hyacinth fragranceFR
 hyacinth specialtyFR
(Z)-rose oxideFL/FR
fruity
alpha-heptyl cinnamaldehyde 
2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
green
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 artichoke leaf 
 birch leaf specialtyFR
 bromstyrolCS
isobutyl methyl ketoneFL/FR
2-isobutyl thiazoleFL/FR
2-sec-butyl-3-methoxypyrazineFL/FR
2-isobutyl-3-methoxypyrazineFL/FR
 cortex pyridineFL/FR
3,5,6-neocyclocitralFR
 diphenyl oxideFL/FR
 flower hexeneFR
 galbanum decatrieneFL/FR
 galbanum oil terpenelessFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 galbanum resinoid replacerFR
 geranium absoluteFL/FR
 geranium thiazoleFL/FR
1-heptanolFL/FR
 heptyl cinnamateFL/FR
3-hexen-1-olFL/FR
(Z)-2-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl benzoateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3-hexenalFL/FR
 hexoxyacetaldehyde dimethyl acetalFR
 hexyl heptanoateFL/FR
 lawsonia inermis leaf oil CO2 extractFR
(Z)-leaf acetalFL/FR
 leafy acetalFL/FR
 leafy oximeFR
 methyl heptine carbonateFL/FR
 nerol oxideFL/FR
(Z,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
1-penten-3-olFL/FR
green pepper oilFL/FR
3-phenyl propionaldehydeFL/FR
isopropyl phenyl propionaldehydeFR
 rosa damascena leaf absoluteFR
 rosacyanthinFR
 rose leaf absolute (rosa centifolia)FL/FR
 styralyl acetateFL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
3-butylidene phthalideFL/FR
 herbal heptaneFR
 lovage tinctureFL/FR
2-pentyl acetateFL/FR
 rosemary oleoresinFL/FR
leafy
 autumn fragranceFR
 curry leaf absoluteFL/FR
marine
 marine hexaneFR
minty
isopulegyl formateFL/FR
musty
 cocoa butenalFL/FR
 shoyu pyrazineFL/FR
pine
 plectranthus glandulosus hook f. leaf oil cameroonFR
3-(methyl thio) hexanolFL/FR
waxy
 methyl butyl phenyl acetateFL/FR
woody
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 acetaldehyde di-(Z)-3-hexen-1-yl acetalFL/FR
 allyl anthranilateFL/FR
2-ethyl-3-methoxypyrazineFL/FR
 green pea pyrazineFL
alpha-heptyl cinnamaldehyde 
 heptyl cinnamateFL/FR
3-hexen-1-olFL/FR
(Z)-3-hexen-1-yl (E)-crotonateFL/FR
(E)-2-hexenalFL
2-hexenalFL
 hexyl heptanoateFL/FR
2-methoxy-3-propyl pyrazineFL
2-methyl-3-heptanoneFL
3-methyl-3-pentanolFL
1,5-octadien-3-olFL
(Z)-2-octenal 
2-pentyl pyridineFL
isopulegyl formateFL/FR
alliaceous
 allyl thiopropionateFL
 dipropyl disulfideFL/FR
aromatic
 leafy acetalFL/FR
celery
3-butylidene phthalideFL/FR
coumarinic
 phthalideFL/FR
dairy
2-pentyl acetateFL/FR
fatty
(Z)-3-hexen-1-yl benzoateFL/FR
(E)-2-octenalFL/FR
fruity
2,4-hexadien-1-olFL
2-hexen-1-olFL/FR
 styralyl acetateFL/FR
green
 acetaldehyde dipropyl acetalFL/FR
 acetaldehyde ethyl phenethyl acetalFL/FR
 artichoke leaf 
isobutyl methyl ketoneFL/FR
2-isobutyl pyridineFL
2-isobutyl thiazoleFL/FR
2-isobutyl-3-methoxypyrazineFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
 cocoa butenalFL/FR
 cortex pyridineFL/FR
 dibutyl sulfideFL/FR
 dihydroxyacetophenone (mixed isomers)FL
 diphenyl oxideFL/FR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 galbanum decatrieneFL/FR
 galbanum oil terpenelessFL/FR
 galbanum oleoresinFL/FR
 galbanum resinoidFL/FR
 geranium absoluteFL/FR
 geranium thiazoleFL/FR
(Z)-2-hexen-1-olFL/FR
(E)-2-hexen-1-olFL/FR
(E)-2-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl lactateFL/FR
(Z)-3-hexen-1-yl methyl carbonateFL/FR
(Z)-3-hexen-1-yl octanoateFL/FR
(Z)-3-hexen-1-yl tiglateFL/FR
3-hexenalFL/FR
(E)-2-hexenal diethyl acetalFL
2-hexyl pyridineFL
 horseradish oilFL
(Z)-leaf acetalFL/FR
 methyl heptenoneFL/FR
 methyl heptine carbonateFL/FR
4-methyl thiazoleFL
 nerol oxideFL/FR
(E,Z)-3,6-nonadien-1-olFL/FR
(E,Z)-2,6-nonadien-1-yl acetateFL/FR
 octanal dimethyl acetalFL/FR
(Z)-5-octen-1-yl propionateFL/FR
4-penten-1-yl acetateFL
1-penten-3-olFL/FR
green pepper distillatesFL
green pepper oilFL/FR
3-phenyl propionaldehydeFL/FR
2-(5-isopropyl-2-methyltetrahydro-2-thiophenyl)ethyl acetateFL
 rose leaf absolute (rosa centifolia)FL/FR
(Z)-rose oxideFL/FR
 violet leaf oil (viola odorata)FL/FR
herbal
sweet basil absoluteFL/FR
 curry leaf absoluteFL/FR
 lovage tinctureFL/FR
 rosemary oleoresinFL/FR
leafy
 methyl butyl phenyl acetateFL/FR
metallic
3-(methyl thio) hexanolFL/FR
musty
 shoyu pyrazineFL/FR
nutty
2,4,5-trimethyl thiazoleFL/FR
radish
 horseradish flavorFL
solvent
1-heptanolFL/FR
sulfurous
 broccoli flavorFL
vegetable
2-sec-butyl-3-methoxypyrazineFL/FR
2-methyl valeraldehydeFL/FR
2-octen-4-oneFL/FR
waxy
(Z,Z)-3,6-nonadien-1-olFL/FR
(E)-2-tetradecenalFL/FR
 
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Potential Uses:
 floralFR
 flower shopFR
 greenFR
 green leafFR
 herbalFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 acetaldehyde butyl phenyl ethyl acetal
 acetaldehyde, butyl phenylethyl acetal
 benzene, (2-(1-butoxyethoxy)ethyl)-
1-butoxy-1-(2-phenyl ethoxy) ethane
1-butoxy-1-(2-phenylethoxy)ethane
2-butoxy-2-phenyl ethoxyethane
2-(1-butoxyethoxy) ethyl benzene
(2-(1-butoxyethoxy)ethyl) benzene
(2-(1-butoxyethoxy)ethyl)benzene
[2-(1-butoxyethoxy)ethyl]benzene
2-(1-butoxyethoxy)ethylbenzene
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Articles:
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