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propylene glycol mono-2-methyl butyrate
propyleneglycol mono-2-methylbutyrate

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CAS Number: 923593-56-0Picture of molecule3D/inchi
% from:60.00%
FDA UNII:9Q5W5G6461
XlogP3-AA:1.30 (est)
Molecular Weight:160.21312000
Formula:C8 H16 O3
NMR Predictor:Predict (works with chrome or firefox)
CAS Number: 923593-57-1Picture of molecule3D/inchi
% from:29.00%
FDA UNII:3Z73C506A9
XlogP3-AA:1.30 (est)
Molecular Weight:160.21312000
Formula:C8 H16 O3
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
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JECFA Food Flavoring:1981 propyleneglycol mono-2-methylbutyrate

1981 propyleneglycol mono-2-methylbutyrate
FDA Mainterm: PROPYLENEGLYCOL MONO-2-METHYLBUTYRATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 96.00 to 100.00 sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity:0.96800 to 0.97800 @ 20.00 °C.
Pounds per Gallon - (est).: 8.064 to 8.147
Refractive Index:1.42200 to 1.43200 @ 20.00 °C.
Boiling Point: 238.00 to 240.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.007000 mm/Hg @ 25.00 °C. (est)
Flash Point: 201.00 °F. TCC ( 94.20 °C. ) (est)
logP (o/w): 1.200 (est)
Soluble in:
 alcohol
 water, 2.019e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
isoamyl 2-methyl butyrate
amyl 2-methyl butyrate
benzyl 2-methyl butyrate
bornyl 2-methyl butyrate
butyl 2-methyl butyrate
isobutyl 2-methyl butyrate
citronellyl 2-methyl butyrate
ethyl 2-hydroxy-2-methyl butyrate
(±)-ethyl 3-acetoxy-2-methyl butyrate
(±)-ethyl 3-hydroxy-2-methyl butyrate
ethyl 2-methyl butyrate
furfuryl 2-methyl butyrate
geranyl 2-methyl butyrate
heptyl 2-methyl butyrate
(E)-2-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
hexyl 2-methyl butyrate
methyl 3-acetoxy-2-methyl butyrate
2-methyl butyl 2-methyl butyrate
octyl 2-methyl butyrate
propyl 2-methyl butyrate
isopropyl 2-methyl butyrate
propylene glycol di-2-methyl butyrate
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:low
fruity ethereal
Odor Description:at 100.00 %. mild fruity ethereal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Propyleneglycol mono 2-methylbutyrate
Inoue Perfumery
PROPYLENEGLYCOL MONO2METHYLBUTYRATE
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 mono-2-methyl butyrate 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: 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
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :23497922
National Institute of Allergy and Infectious Diseases:Data
2-hydroxypropyl 2-methylbutanoate
Chemidplus:0923593560
1-hydroxypropan-2-yl 2-methylbutanoate
Chemidplus:0923593571
 
References:
 2-hydroxypropyl 2-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):23497922
Pubchem (sid):163642915
 1-hydroxypropan-2-yl 2-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):18728905
Pubchem (sid):163642916
 
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
HMDB (The Human Metabolome Database):Search
ChemSpider:View
FAO:Propyleneglycol mono-2-methylbutyrate (mixture of isomers)
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-hydroxypropan-2-yl 2-methylbutanoate + 2-hydroxypropyl 2-methylbutanoate
2-hydroxypropyl 2-methylbutanoate + 1-hydroxypropan-2-yl 2-methylbutanoate
2-hydroxypropyl-2-methyl butanoate
2-hydroxypropyl-2-methylbutanoate
2-methyl butanoic acid 2-hydroxy-1-methyl ethyl ester
2-methyl butanoic acid 2-hydroxypropyl ester
2-methylbutanoic acid 2-hydroxy-1-methylethyl ester
2-methylbutanoic acid 2-hydroxypropyl ester
 propylene glycol mono-2-methylbutyrate
 propyleneglycol mono-2-methylbutyrate
 

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