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acetaldehyde butyl phenethyl acetal

Chemical Structure

General Material Information

Preferred name acetaldehyde butyl phenethyl acetal
Trivial Name [2-(1-Butoxyethoxy)ethyl]benzene
Short Description 1-butoxy-1-(2-phenylethoxy)ethane
Formula C14 H22 O2
CAS Number 64577-91-9
FEMA Number 3125
Flavis Number 6.036
ECHA Number 264-948-9
FDA UNII KZ6JI8OWWE
Nikkaji Number J307.253C
COE Number 10007
xLogP3-AA 3.70 (est)
NMR Predictor External link
JECFA Food Flavoring 1001 acetaldehyde butyl phenethyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 64577-91-9 ; ACETALDEHYDE, BUTYL PHENETHYL ACETAL
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
  • 2-(1-butoxyethoxy)ethylbenzene
  • Benzene, [2-(1-butoxyethoxy)ethyl]-
  • [2-(1-Butoxyethoxy)ethyl]benzene

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB37820
FooDB:FDB016965
Export Tariff Code:2911.00.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 222.32774353027
Specific gravity @ 25 °C
Pounds per Gallon 7.68 to 7.78
Refractive Index 1.467 to 1.481 @ 20 °C
Boiling Point 280 to 282°C @ 760 mm Hg
Vapor Pressure 0.007 mmHg @ 25 °C
Flash Point TCC Value 90.6 °C TCC
logP (o/w) 3.549 est
Solubility
alcohol Yes
water, 15.78 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Green
green, leafy, vegetable
General comment At 100.00 %. green leafy vegetable
Flavor Type: Green
pepper bell pepper, green, vegetable
General comment Green pepper

Potential Uses

Applications
Odor purposes Floral, Flower shop, Green, Green leaf, Herbal

Safety Information

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
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
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: --

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
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
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