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isoheptyl acetate
5-methylhexyl acetate

Sponsors

Name:5-methylhexyl acetate
CAS Number: 180348-60-1Picture of molecule3D/inchi
FDA UNII:OL55QJ40C8
XlogP3-AA:3.10 (est)
Molecular Weight:158.24086000
Formula:C9 H18 O2
NMR Predictor:Predict (works with chrome or firefox)
Category:flavoring 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
FEMA Number:4346 5-methylhexyl acetate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: 5-METHYLHEXYL ACETATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 97.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 175.00 to 176.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure:1.090000 mm/Hg @ 25.00 °C. (est)
Flash Point: 139.00 °F. TCC ( 59.40 °C. ) (est)
logP (o/w): 3.181 (est)
Soluble in:
 alcohol
 water, 117.8 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Strength:medium
Odor Description:at 100.00 %. sweet minty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Parchem
isoheptyl acetate
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: flavoring agents
Recommendation for isoheptyl acetate 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: 23
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 10.00000100.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 5.0000010.00000
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: --
soups: --
sugar substitutes: --
sweet sauces: --
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :22182954
National Institute of Allergy and Infectious Diseases:Data
5-methylhexyl acetate
Chemidplus:0180348601
EPA/NOAA CAMEO:hazardous materials
 
References:
 5-methylhexyl acetate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):22182954
Pubchem (sid):135334366
 
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):HMDB32406
FooDB:FDB009841
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 acetic acid, C6-8-branched alkyl esters
1-hexanol, 5-methyl-, acetate
5-methyl hexyl acetate
5-methylhexyl acetate
 

Articles:

 None found yet.
 
Notes:
Used as a food additive [EAFUS]
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