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vanillin 2,3-butylene glycol acetal

Chemical Structure

General Material Information

Preferred name vanillin 2,3-butylene glycol acetal
Trivial Name 4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
Short Description vanillin erythro- and threo-butan-2,3-diol acetal
Formula C12 H16 O4
CAS Number 63253-24-7
FEMA Number 4023
Flavis Number 6.132
FDA UNII 4KH462EVTJ
xLogP3-AA 1.80 (est)
NMR Predictor External link
JECFA Food Flavoring 960 vanillin erythro- & threo-butan-2,3-diol acetal
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 63253-24-7 ; VANILLIN 1,2-BUTYLENE GLYCOL ACETAL
Synonyms
  • 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxy-phenol
  • 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
  • 2-(4-hydroxy-3-methoxyphenyl)-4,5-dimethyl-1,3-dioxolane
  • vanillin butan-2,3-diol acetal (mixture of stereo isomers)
  • vanillin butylene glycol acetal (2,3-)
  • vanillin erythro- & threo-butan-2,3-diol acetal
  • vanillin erythro- and threo-butan-2,3-diol acetal
  • Phenol, 4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxy-
  • 4-(4,5-Dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
  • Vanillin butane-2,3-diol acetal

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):HMDB32552
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 224.25631713867
Specific gravity @ 25 °C
Pounds per Gallon 9.652 to 9.819
Refractive Index 1.527 to 1.537 @ 20 °C
Melting Point 48 to 52°C @ 760 mm Hg
Boiling Point 324 to 326°C @ 760 mm Hg
Flash Point TCC Value 158.3 °C TCC
logP (o/w) 1.58 est
Solubility
alcohol Yes
water, 1688 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Vanilla
vanilla, creamy, chocolate, powdery, caramellic, dairy, custard, gourmand, balsamic, malty
Odor strength medium
Substantivity > 696 hour(s) at 100.00 %
Luebke, William tgsc, (2017) At 100.00 %. vanilla creamy chocolate powdery caramellic dairy custard gourmand balsamic malty
Flavor Type: Vanilla
vanilla, chocolate, cocoa, creamy, caramellic, powdery, custard, dairy
Luebke, William tgsc, (2017) Vanilla chocolate cocoa creamy caramellic powdery custard dairy

Potential Uses

Applications
Odor purposes Amber, Baby powder, Heliotrope, Vanilla

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 vanillin 2,3-butylene glycol acetal usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 3.40 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 3.00 (μg/capita/day)
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: 20
Click here to view publication 20
average usual ppmaverage maximum ppm
baked goods: 200.00000400.00000
beverages(nonalcoholic): 60.00000120.00000
beverages(alcoholic): 60.00000120.00000
breakfast cereal: 180.00000300.00000
cheese: --
chewing gum: 250.00000500.00000
condiments / relishes: 60.00000120.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 80.00000160.00000
fruit ices: --
gelatins / puddings: 100.00000200.00000
granulated sugar: --
gravies: --
hard candy: 150.00000280.00000
imitation dairy: 60.00000120.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 60.00000120.00000
nut products: 60.00000120.00000
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: 60.00000120.00000
soft candy: 120.00000240.00000
soups: 60.00000120.00000
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) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23
View page or View pdf

Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (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 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :57358374
National Institute of Allergy and Infectious Diseases:Data
4-(4,5-dimethyl-1,3-dioxolan-2-yl)-2-methoxyphenol
Chemidplus:0063253247