We have found 46587 results matching your criteria.
Please wait while we search...
  1. 1.
    General Material Information
  2. 2.
    PhysChem Properties
  3. 3.
    Occurrences
  4. 4.
    Organoleptic Properties
  5. 5.
    Suppliers
  6. 6.
    Potential Uses
  7. 7.
    Regulatory & Documentation
  8. 8.
    Safety Information
  9. 9.
    Other Information
  10. 10.
    Blenders & Components
  11. 11.
    Literature & References

phenyl acetaldehyde diisobutyl acetal

Chemical Structure

General Material Information

Preferred name phenyl acetaldehyde diisobutyl acetal
Trivial Name [2,2-Bis(2-methylpropoxy)ethyl]benzene
Short Description phenylacetaldehyde diisobutyl acetal
Formula C16 H26 O2
CAS Number 68345-22-2
FEMA Number 3384
Flavis Number 6.024
ECHA Number 269-851-5
FDA UNII M7DD3LIZ6U
Nikkaji Number J349.362H
COE Number 595
xLogP3-AA 4.70 (est)
NMR Predictor External link
JECFA Food Flavoring 1006 phenylacetaldehyde diisobutyl acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 68345-22-2 ; PHENYLACETALDEHYDE DIISOBUTYL ACETAL
Synonyms
  • benzene, (2,2-bis(2-methylpropoxy)ethyl)-
  • benzene, [2,2-bis(2-methylpropoxy)ethyl]-
  • 1,1-di(2-methylpropoxy)-2-phenylethane
  • 1,1-diisobutoxy-2-phenyl ethane
  • 1,1-diisobutoxy-2-phenylethane
  • (2,2-diisobutoxyethyl)benzene
  • honey acetal
  • (2,2-bis(2-methyl propoxy)ethyl) benzene
  • (2,2-bis(2-methylpropoxy)ethyl)benzene
  • [2,2-bis(2-methylpropoxy)ethyl]benzene
  • 2,2-bis(2-methylpropoxy)ethylbenzene
  • phenyl acetaldehyde di iso butyl acetal
  • phenylacetaldehyde diisobutyl acetal
  • phenylacetaldehyde, diisobutyl acetal
  • 2,2-bis(2-methylpropoxy)ethylbenzene
  • [2,2-Bis(2-methylpropoxy)ethyl]benzene

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

Google Scholar Start search
Google Books Start search
Google Patents Start search
Perfumer & Flavorists Start search
EU Patents Start search
PubMeb Start search
NCBI Start search

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):HMDB37712
FooDB:FDB016840
Export Tariff Code:2911.00.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 250.38162231445
Vapor Pressure 0.002 mmHg @ 25 °C
Flash Point TCC Value 93.33 °C TCC
logP (o/w) 4.437 est
Solubility
alcohol Yes
water, very slightly Yes
water, 2.149 mg/L @ 25 °C (est) Yes
water No
Stability
alkalis Unspecified

Organoleptic Properties

Odor Type: Floral
sweet, green, floral, almond, rose, cortex, honey, brown, cocoa, fruit dried fruit, powdery
Odor strength medium
Substantivity 40 hour(s) at 100.00 %
Luebke, William tgsc, (1984) At 100.00 %. sweet green floral almond rose cortex
Mosciano, Gerard P&F 16, No. 5, 71, (1991) Sweet, honey, brown, floral, cocoa, dried fruit with powdery nuances
Flavor Type: Green
green, cocoa, cortex, tropical, narcissus, almond, honey, phenolic, sweet, brown, floral
Luebke, William tgsc, (1984) Sweet green cocoa cortex tropical narcissus almond honey phenolic
Mosciano, Gerard P&F 16, No. 5, 71, (1991) At 35.00 ppm. Sweet, honey, brown, floral

Potential Uses

Applications
Odor purposes Chocolate, Cortex, Davana oil replacer, Fig, Green, Rose, Strawberry
Flavoring purposes Tropical

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 phenyl acetaldehyde diisobutyl acetal usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 27.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.40 (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: 6
Click here to view publication 6
average usual ppmaverage maximum ppm
baked goods: -50.00000
beverages(nonalcoholic): -10.00000
beverages(alcoholic): -25.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -30.00000
fruit ices: -30.00000
gelatins / puddings: -50.00000
granulated sugar: --
gravies: --
hard candy: -75.00000
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):68345-22-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :71544
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2,2-bis(2-methylpropoxy)ethylbenzene
Chemidplus:0068345222