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ethyl vanillin propylene glycol acetal

Chemical Structure

General Material Information

Preferred name ethyl vanillin propylene glycol acetal
Trivial Name Ethylvanillin propylene glycol acetal
Short Description 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
Formula C12 H16 O4
CAS Number 68527-76-4
ECHA Number 271-281-7
FDA UNII PP1L5D6A0Y
Nikkaji Number J25.454A
MDL MFCD00036667
xLogP3-AA 1.70 (est)
NMR Predictor External link
JECFA Food Flavoring 954 ethyl vanillin propylene glycol acetal
FEMA Number 3838
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 68527-76-4 ; ETHYL VANILLIN PROPYLENE GLYCOL ACETAL
Applications
  • flavor and fragrance agents
Synonyms
  • 2- ethoxy-4-(4-methyl-1,3-dioxolan-2-yl) phenol
  • 2- ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
  • 3- ethoxy-4-hydroxybenzaldehyde-propylene glycol acetal
  • 2-(3- ethoxy4-hydroxyphenyl)-4-methyl-1,3-dioxolane
  • ethyl vanillin PG acetal
  • ethyl vanillin propylene glycol acetal 80-85%
  • ethyl vanillin propyleneglycol acetal
  • phenol, 2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)-
  • 2-Ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
  • Ethylvanillin propylene glycol acetal

Organoleptic Properties

Odor Type: Vanilla
Odor strength medium
Substantivity 304 hour(s) at 100.00 %
General comment At 100.00 %. sweet vanilla creamy spicy
Mosciano, Gerard P&F 25, No. 1, 49, (2000) At 1.00 % in ethyl alcohol. Sweet sharp vanillin, creamy with spicy clove-like nuances
Flavor Type: Vanilla
Mosciano, Gerard P&F 25, No. 1, 49, (2000) At 10.00 - 25.00 ppm. Sweet, creamy, vanilla with cardboard nuances. It imparts lingering sweetness
Adds smoky, vanilla notes to a variety of flavors, especially milk chocolate. Smokey, not creamy-guaiacol

Potential Uses

Odor purposes Cream , Spice , Vanilla , Woody
Flavoring purposes Chocolate cacao , Dairy , Marshmallow

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

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Literature & References

2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):109457
Pubchem (sid):135066803

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):HMDB36203
FooDB:FDB015061
Export Tariff Code:2911.00.5000
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 224.25631713867
Specific gravity @ 25 °C
Pounds per Gallon 9.636 to 9.719
Refractive Index 1.526 to 1.536 @ 20 °C
Boiling Point 346 to 347°C @ 760 mm Hg
Vapor Pressure 2.0E-5 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 1.779 est
Solubility
alcohol Yes
water, 1460 mg/L @ 25 °C (est) Yes
water No
Stability
alkali Unspecified

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
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 ethyl vanillin propylene glycol acetal usage levels up to:
5.0000 % in the fragrance concentrate.
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: 18
Click here to view publication 18
average usual ppmaverage maximum ppm
baked goods: 55.00000121.00000
beverages(nonalcoholic): 23.0000039.00000
beverages(alcoholic): 7.0000013.00000
breakfast cereal: 351.00000429.00000
cheese: --
chewing gum: 49.0000049.00000
condiments / relishes: 17.0000017.00000
confectionery froastings: 125.00000352.00000
egg products: --
fats / oils: 0.080000.20000
fish products: --
frozen dairy: 16.0000035.00000
fruit ices: --
gelatins / puddings: 24.0000052.00000
granulated sugar: --
gravies: --
hard candy: 21.0000039.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: 5.000005.00000
milk products: 1817.000001824.00000
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: 74.00000116.00000
soups: --
sugar substitutes: --
sweet sauces: 133.00000224.00000

Safety references

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):68527-76-4
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :109457
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
2-ethoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol
Chemidplus:0068527764