propylene glycol monohexanoate
2-hydroxypropyl hexanoate
 
Notes:
None found
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CAS Number: 39556-41-7Picture of molecule3D/inchi
% from: 62.00%
ECHA EINECS - REACH Pre-Reg: 254-506-3
FDA UNII: T5U61CGW4R
Nikkaji Web: J106.462B
XlogP3-AA: 1.80 (est)
Molecular Weight: 174.24006000
Formula: C9 H18 O3
NMR Predictor: Predict (works with chrome or firefox)
CAS Number: 170678-49-6Picture of molecule3D/inchi
% from: 35.00%
FDA UNII: 39RQR15921
Nikkaji Web: J106.470C
XlogP3-AA: 1.80 (est)
Molecular Weight: 174.24006000
Formula: C9 H18 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
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: 1983  propyleneglycol monohexanoate

1983  propyleneglycol monohexanoate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.96300 to 0.96900 @  20.00 °C.
Pounds per Gallon - (est).: 8.022 to  8.072
Refractive Index: 1.43000 to 1.43600 @  20.00 °C.
Boiling Point: 263.00 to  265.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est)
Flash Point: 220.00 °F. TCC ( 104.44 °C. )
logP (o/w): 1.821 (est)
Soluble in:
 alcohol
 water, 5719 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: fruity
 
Odor Strength: medium
 
 fruity  green  ethereal  
Odor Description:
at 100.00 %. 
fruity green ethereal
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Aston Chemical
For experimental / research use only.
Hexanoic acid,2-hydroxypropyl ester
Parchem
propylene glycol monohexanoate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
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Safety in Use Information:
Category: solvents/deluents for flavor and/or fragrance agents
Recommendation for propylene glycol monohexanoate 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: --
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 3016085
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 2-hydroxypropyl hexanoate
Chemidplus: 0039556417
 1-hydroxypropan-2-yl hexanoate
Chemidplus: 0170678496
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References:
 2-hydroxypropyl hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 3016085
Pubchem (sid): 135212002
 1-hydroxypropan-2-yl hexanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 11073907
Pubchem (sid): 163641823
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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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
 solvents 
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 hexanoic acid 2-hydroxy-1-methyl ethyl ester
 hexanoic acid 2-hydroxy-1-methylethyl ester
 hexanoic acid 2-hydroxypropyl ester
 hexanoic acid, 2-hydroxypropyl ester
 hexanoic acid,2-hydroxypropyl ester
2-hydroxypropyl hexanoate
 propyleneglycol monohexanoate
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Articles:
 None found yet.
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