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propylene glycol monobutyrate
propyleneglycol monobutyrate (mixture of isomers)

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CAS Number: 29592-95-8Picture of molecule3D/inchi
% from:60.00% to 63.00%
ECHA EINECS - REACH Pre-Reg:249-708-3
FDA UNII: 1Y0H57TG56
Nikkaji Web:J106.460F
XlogP3:0.90 (est)
Molecular Weight:146.18618000
Formula:C7 H14 O3
NMR Predictor:Predict (works with chrome, Edge or firefox)
EFSA/JECFA Comments:
Mixture of isomers: 60-63% 2-Hydroxypropyl butyrate; 28-29% 1-Hydroxypropan-2-yl butyrate; 6-10% Propyleneglycol dibutyrate.
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
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
JECFA Food Flavoring:1979 propyleneglycol monobutyrate (mixture of isomers)
FEMA Number:4488 propyleneglycol monobutyrate (mixture of isomers)
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):29592-95-8 ; PROPYLENEGLYCOL MONOBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 88.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.99000 to 0.99800 @ 20.00 °C.
Pounds per Gallon - (est).: 8.247 to 8.314
Refractive Index:1.42200 to 1.43000 @ 20.00 °C.
Boiling Point: 227.00 to 228.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.014000 mmHg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 0.849 (est)
Soluble in:
 alcohol
 water, slightly
 water, 5.298e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Butanoic acid, monoester with 1,2-propanediol
BOC Sciences
For experimental / research use only.
Propylene Glycol Monobutyrate
Inoue Perfumery
PROPYLENE GLYCOL MONOBUTYRATE
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
 
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 monobutyrate 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
Click here to view publication 24
 average usual ppmaverage maximum ppm
baked goods: 20.0000050.00000
beverages(nonalcoholic): 1.0000010.00000
beverages(alcoholic): 3.0000020.00000
breakfast cereal: --
cheese: 5.0000030.00000
chewing gum: 20.0000050.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 3.0000020.00000
fruit ices: 2.0000010.00000
gelatins / puddings: 2.0000010.00000
granulated sugar: --
gravies: --
hard candy: 10.0000030.00000
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: 20.0000050.00000
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):29592-95-8
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :122419
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
2-hydroxypropyl butanoate
Chemidplus:0029592958
 
References:
 2-hydroxypropyl butanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):122419
Pubchem (sid):135079667
 
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):Search
FDA Listing of Food Additive Status:View
ChemSpider:View
FAO:Propyleneglycol monobutyrate (mixture of isomers)
 
Potential Blenders and core components note
None Found
 
Potential Uses:
 solvents
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 butanoic acid monoester with 1,2-propane diol
 butanoic acid monoester with 1,2-propanediol
 butanoic acid, 2-hydroxypropyl ester
 butanoic acid, monoester with 1,2-propanediol
 butyric acid monoester with propane-1,2-diol
 butyric acid, monoester with propane-1,2-diol
2-hydroxypropyl butanoate
2-hydroxypropyl butyrate
 propylene glycol, monobutyrate
 propyleneglycol monobutyrate (mixture of isomers)
 
 
Notes:
None found
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