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valeraldehyde dibutyl acetal

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CAS Number: 13112-65-7Picture of molecule3D/inchi
Nikkaji Web:J260.935E
XlogP3-AA:4.40 (est)
Molecular Weight:216.36456000
Formula:C13 H28 O2
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:flavor and fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring:1731 valeraldehyde dibutyl acetal
FEMA Number:4375 valeraldehyde dibutyl acetal
FDA:No longer provide for the use of these seven synthetic flavoring substances
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.83300 to 0.83900 @ 25.00 °C.
Pounds per Gallon - (est).: 6.931 to 6.981
Refractive Index:1.41700 to 1.42300 @ 20.00 °C.
Boiling Point: 251.00 to 252.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.127000 mmHg @ 25.00 °C. (est)
Flash Point: 125.00 °F. TCC ( 51.67 °C. )
logP (o/w): 4.864 (est)
Soluble in:
 water, 3.902 mg/L @ 25 °C (est)
Insoluble in:
Organoleptic Properties:
Odor Description:at 10.00 % in dipropylene glycol. sweet nutty
Odor and/or flavor descriptions from others (if found).
Cosmetic Information:
None found
valeraldehyde dibutyl 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
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:
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 valeraldehyde dibutyl acetal usage levels up to:
  2.0000 % 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: 23
Click here to view publication 23
 average usual ppmaverage maximum ppm
baked goods: 1.0000050.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 1.0000050.00000
cheese: 1.0000050.00000
chewing gum: 0.1000020.00000
condiments / relishes: 0.1000020.00000
confectionery froastings: 1.0000050.00000
egg products: 1.0000050.00000
fats / oils: 1.0000050.00000
fish products: --
frozen dairy: 0.1000020.00000
fruit ices: 0.1000020.00000
gelatins / puddings: --
granulated sugar: --
gravies: 0.1000020.00000
hard candy: 1.0000050.00000
imitation dairy: 1.0000050.00000
instant coffee / tea: --
jams / jellies: 0.1000020.00000
meat products: 1.0000050.00000
milk products: 1.0000050.00000
nut products: 0.1000020.00000
other grains: 0.1000020.00000
poultry: 1.0000030.00000
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 1.00000100.00000
snack foods: 1.0000050.00000
soft candy: 1.0000050.00000
soups: 0.1000020.00000
sugar substitutes: --
sweet sauces: 0.1000020.00000
Safety References:
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 :22011445
National Institute of Allergy and Infectious Diseases:Data
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22011445
Pubchem (sid):135313562
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):HMDB32550
Potential Blenders and core components note
None Found
Potential Uses:
None Found
Occurrence (nature, food, other):note
 not found in nature
 pentane, 1,1-dibutoxy-
Used as a food additive [EAFUS]
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