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

acetaldehyde butyl phenethyl acetal
1-butoxy-1-(2-phenylethoxy)ethane

Supplier Sponsors

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
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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: ACETALDEHYDE, BUTYL PHENETHYL ACETAL
 
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 mm/Hg @ 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
 
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).
 
Cosmetic Information:
None found
 
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 Chemical Sources Association
 
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
 
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
 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: --
 
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 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
 
References:
 2-(1-butoxyethoxy)ethylbenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:64577-91-9
Pubchem (cid):62876
Pubchem (sid):135019481
 
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 Everything Added to Food in the United States (EAFUS):View
HMDB (The Human Metabolome Database):HMDB37820
FooDB:FDB016965
Export Tariff Code:2911.00.5000
ChemSpider:View
 
Potential Blenders and core components note
For Odor
alliaceous
dibutyl sulfide
FL/FR
dipropyl disulfide
FL/FR
camphoreous
hinoki leaf oil
FR
caramellic
2-iso
butyl-3-methyl pyrazine
FL/FR
chocolate
2,4,5-
trimethyl thiazole
FL/FR
citrus
methyl heptenone
FL/FR
neroli ketone
FR
petitgrain combava oil
FR
(E)-2-
tetradecenal
FL/FR
coumarinic
phthalide
FL/FR
earthy
2-
ethyl-3-methoxypyrazine
FL/FR
ethereal
2-
methyl valeraldehyde
FL/FR
fatty
(E)-2-
octenal
FL/FR
floral
allyl anthranilate
FL/FR
geranium pyran
FR
geranium specialty
FR
hyacinth fragrance
FR
hyacinth specialty
FR
(Z)-
rose oxide
FL/FR
fruity
2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
green
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
birch leaf specialty
FR
bromstyrol
CS
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
2-iso
butyl-3-methoxypyrazine
FL/FR
2-sec-
butyl-3-methoxypyrazine
FL/FR
cortex pyridine
FL/FR
3,5,6-neo
cyclocitral
FR
diphenyl oxide
FL/FR
flower hexene
FR
galbanum decatriene
FL/FR
galbanum oil terpeneless
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
galbanum resinoid replacer
FR
geranium absolute
FL/FR
geranium thiazole
FL/FR
1-
heptanol
FL/FR
heptyl cinnamate
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl benzoate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
hexoxyacetaldehyde dimethyl acetal
FR
hexyl heptanoate
FL/FR
lawsonia inermis leaf oil CO2 extract
FR
(Z)-
leaf acetal
FL/FR
leafy acetal
FL/FR
leafy oxime
FR
methyl heptine carbonate
FL/FR
nerol oxide
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
1-
penten-3-ol
FL/FR
green
pepper oil
FL/FR
3-
phenyl propionaldehyde
FL/FR
iso
propyl phenyl propionaldehyde
FR
rosa damascena leaf absolute
FR
rosacyanthin
FR
rose leaf absolute (rosa centifolia)
FL/FR
styralyl acetate
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
3-
butylidene phthalide
FL/FR
herbal heptane
FR
lovage tincture
FL/FR
2-
pentyl acetate
FL/FR
rosemary oleoresin
FL/FR
leafy
autumn fragrance
FR
curry leaf absolute
FL/FR
marine
marine hexane
FR
minty
iso
pulegyl formate
FL/FR
musty
cocoa butenal
FL/FR
nutty
shoyu pyrazine
FL/FR
sulfurous
3-(
methyl thio) hexanol
FL/FR
waxy
methyl butyl phenyl acetate
FL/FR
woody
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
yeasty
2-
octen-4-one
FL/FR
For Flavor
No flavor group found for these
acetaldehyde di-(Z)-3-hexen-1-yl acetal
FL/FR
allyl anthranilate
FL/FR
2-iso
butyl pyridine
FL
2-
ethyl-3-methoxypyrazine
FL/FR
green pea pyrazine
FL
heptyl cinnamate
FL/FR
3-
hexen-1-ol
FL/FR
(Z)-3-
hexen-1-yl (E)-crotonate
FL/FR
2-
hexenal
FL
(E)-2-
hexenal
FL
hexyl heptanoate
FL/FR
2-
methoxy-3-propyl pyrazine
FL
2-
methyl-3-heptanone
FL
3-
methyl-3-pentanol
FL
1,5-
octadien-3-ol
FL
2-
pentyl pyridine
FL
iso
pulegyl formate
FL/FR
alliaceous
alliaceous
allyl thiopropionate
FL
dipropyl disulfide
FL/FR
aromatic
leafy acetal
FL/FR
celery
3-
butylidene phthalide
FL/FR
coumarinic
phthalide
FL/FR
dairy
2-
pentyl acetate
FL/FR
fatty
(Z)-3-
hexen-1-yl benzoate
FL/FR
(E)-2-
octenal
FL/FR
fruity
2,4-
hexadien-1-ol
FL
2-
hexen-1-ol
FL/FR
styralyl acetate
FL/FR
green
acetaldehyde dipropyl acetal
FL/FR
acetaldehyde ethyl phenethyl acetal
FL/FR
iso
butyl methyl ketone
FL/FR
2-iso
butyl thiazole
FL/FR
2-iso
butyl-3-methoxypyrazine
FL/FR
2-iso
butyl-3-methyl pyrazine
FL/FR
cocoa butenal
FL/FR
cortex pyridine
FL/FR
dibutyl sulfide
FL/FR
dihydroxyacetophenone (mixed isomers)
FL
diphenyl oxide
FL/FR
alpha-
farnesene
FL/FR
alpha-
farnesene isomer
FL/FR
galbanum decatriene
FL/FR
galbanum oil terpeneless
FL/FR
galbanum oleoresin
FL/FR
galbanum resinoid
FL/FR
geranium absolute
FL/FR
geranium thiazole
FL/FR
(Z)-2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-ol
FL/FR
(E)-2-
hexen-1-yl acetate
FL/FR
(Z)-3-
hexen-1-yl lactate
FL/FR
(Z)-3-
hexen-1-yl methyl carbonate
FL/FR
(Z)-3-
hexen-1-yl octanoate
FL/FR
(Z)-3-
hexen-1-yl tiglate
FL/FR
3-
hexenal
FL/FR
(E)-2-
hexenal diethyl acetal
FL
2-
hexyl pyridine
FL
horseradish oil
FL
(Z)-
leaf acetal
FL/FR
methyl heptenone
FL/FR
methyl heptine carbonate
FL/FR
4-
methyl thiazole
FL
nerol oxide
FL/FR
(E,Z)-3,6-
nonadien-1-ol
FL/FR
(E,Z)-2,6-
nonadien-1-yl acetate
FL/FR
octanal dimethyl acetal
FL/FR
(Z)-5-
octen-1-yl propionate
FL/FR
4-
penten-1-yl acetate
FL
1-
penten-3-ol
FL/FR
green
pepper distillates
FL
green
pepper oil
FL/FR
3-
phenyl propionaldehyde
FL/FR
2-(5-iso
propyl-2-methyltetrahydro-2-thiophenyl)ethyl acetate
FL
rose leaf absolute (rosa centifolia)
FL/FR
(Z)-
rose oxide
FL/FR
violet leaf oil (viola odorata)
FL/FR
herbal
sweet
basil absolute
FL/FR
curry leaf absolute
FL/FR
lovage tincture
FL/FR
rosemary oleoresin
FL/FR
leafy
methyl butyl phenyl acetate
FL/FR
metallic
3-(
methyl thio) hexanol
FL/FR
musty
shoyu pyrazine
FL/FR
nutty
2,4,5-
trimethyl thiazole
FL/FR
radish
horseradish flavor
FL
solvent
1-
heptanol
FL/FR
sulfurous
broccoli flavor
FL
vegetable
2-sec-
butyl-3-methoxypyrazine
FL/FR
2-
methyl valeraldehyde
FL/FR
2-
octen-4-one
FL/FR
waxy
(Z,Z)-3,6-
nonadien-1-ol
FL/FR
(E)-2-
tetradecenal
FL/FR
 
Potential Uses:
FRfloral
FRflower shop
FRgreen
FRgreen leaf
FRherbal
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

 None found yet.
 
Notes:
Flavour ingredient with a green pepper taste; useful in vegetable as fruit flavours
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