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propylene glycol dibutyrate
1-butanoyloxypropan-2-yl butanoate

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Flavor Demo Formulas
Name:1-butanoyloxypropan-2-yl butanoate
CAS Number: 50980-84-2Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:256-888-7
FDA UNII:KQ2A0DW803
Nikkaji Web:J106.475D
XlogP3-AA:2.10 (est)
Molecular Weight:216.27720000
Formula:C11 H20 O4
NMR Predictor:Predict (works with chrome or firefox)
Category:solvents/deluents for flavor and/or fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:1980 propyleneglycol dibutyrate
FEMA Number:4466 propyleneglycol dibutyrate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: PROPYLENEGLYCOL DIBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 98.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.97700 to 0.98200 @ 20.00 °C.
Pounds per Gallon - (est).: 8.139 to 8.181
Refractive Index:1.42000 to 1.42600 @ 20.00 °C.
Boiling Point: 266.00 to 268.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.008000 mm/Hg @ 25.00 °C. (est)
Flash Point: 251.00 °F. TCC ( 121.67 °C. )
logP (o/w): 2.612 (est)
Soluble in:
 alcohol
 water, 150.2 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
sweet fruity buttery
Odor Description:at 100.00 %. sweet fruity buttery
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Propane-1,2-diyl dibutyrate
Inoue Perfumery
PROPYLENE GLYCOL DIBUTYRATE
Synerzine
Propylene Glycol Di-n-butyrate
 
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: solvents/deluents for flavor and/or fragrance agents
Recommendation for propylene glycol dibutyrate usage levels up to:
 not for fragrance use.
 
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: 24
 average usual ppmaverage maximum ppm
baked goods: 5.0000012.00000
beverages(nonalcoholic): 1.000002.00000
beverages(alcoholic): 1.000002.00000
breakfast cereal: --
cheese: --
chewing gum: 10.0000070.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: 1.000002.00000
frozen dairy: 1.000002.00000
fruit ices: 1.000002.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000030.00000
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: 4.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA Substance Registry Services (TSCA):50980-84-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :170948
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
1-butanoyloxypropan-2-yl butanoate
Chemidplus:0050980842
 
References:
 1-butanoyloxypropan-2-yl butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):170948
Pubchem (sid):135126667
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2009
(IUPAC):Atomic Weights of the Elements 2009 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS):View
CHEMBL:View
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2915.60.0000
ChemSpider:View
FAO:Propyleneglycol dibutyrate
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 solvents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid 1,1'-(1-methyl-1,2-ethane diyl) ester
 butanoic acid 1,1'-(1-methyl-1,2-ethanediyl) ester
 butanoic acid, 1-methyl-1,2-ethanediyl ester
 butanoic acid,1,1'-(1-methyl-1,2-ethanediyl) ester
1-butanoyloxypropan-2-yl butanoate
 dibutyryl 1,2-propylene glycol
 dibutyryl 1,2-propyleneglycol
1-methyl-1,2-ethanediyl dibutanoate
1,2-propane diol dibutanoate
 propane-1,2-diyl dibutanoate
 propane-1,2-diyl dibutyrate
1,2-propanediol dibutanoate
 propylene glycol di-n-butyrate
 propylene1,2-glycol dibutyrate
 propyleneglycol dibutyrate
 

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