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4-methyl pentyl 4-methyl valerate
4-methylpentyl 4-methylvalerate

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Name:4-methylpentyl 4-methylpentanoate
CAS Number: 35852-42-7Picture of molecule3D/inchi
Nikkaji Web:J504.902D
XlogP3-AA:3.80 (est)
Molecular Weight:200.32168000
Formula:C12 H24 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
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
FEMA Number:4749 4-methylpentyl 4-methylvalerate
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 222.02 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.104000 mm/Hg @ 25.00 °C. (est)
Flash Point: 197.00 °F. TCC ( 91.80 °C. ) (est)
logP (o/w): 4.591 (est)
Soluble in:
 alcohol
 water, 4.696 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium ,
recommend smelling in a 10.00 % solution or less
fruity waxy soapy herbal
Odor Description:at 10.00 % in dipropylene glycol. fruity waxy soapy herbal
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Sigma-Aldrich
4-Methylpentyl 4-methylvalerate, ≥95%
Certified Food Grade Products
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
 
Safety Information:
Preferred SDS: View
 
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 4-methyl pentyl 4-methyl valerate 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: 26
 average usual ppmaverage maximum ppm
baked goods: 4.0000030.00000
beverages(nonalcoholic): 4.0000030.00000
beverages(alcoholic): 4.0000030.00000
breakfast cereal: 4.0000030.00000
cheese: 4.0000030.00000
chewing gum: 10.0000080.00000
condiments / relishes: 4.0000030.00000
confectionery froastings: 4.0000030.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 4.0000030.00000
fruit ices: 4.0000030.00000
gelatins / puddings: 4.0000030.00000
granulated sugar: 4.0000030.00000
gravies: --
hard candy: 4.0000030.00000
imitation dairy: --
instant coffee / tea: 4.0000030.00000
jams / jellies: 4.0000030.00000
meat products: --
milk products: --
nut products: 4.0000030.00000
other grains: --
poultry: --
processed fruits: 4.0000030.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 4.0000030.00000
snack foods: 4.0000030.00000
soft candy: 4.0000030.00000
soups: --
sugar substitutes: --
sweet sauces: 4.0000030.00000
 
Safety References:
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :88168807
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
4-methylpentyl 4-methylpentanoate
 
References:
 4-methylpentyl 4-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):88168807
Pubchem (cas):35852-42-7
 
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
HMDB (The Human Metabolome Database):Search
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
For Flavor
coconut
(R)-
massoia lactone
FL
green
(E)-3-
hexenoic acid
FL
methyl 2-undecynoate
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 capsicum pubescens
Search Trop Picture
 chili amarillo chili
Search Trop Picture
 
Synonyms:
4-methyl pentyl 4-methyl pentanoate
4-methylpentanoic acid, 4-methylpentyl ester
4-methylpentyl 4-methylpentanoate
4-methylpentyl 4-methylvalerate
 pentanoic acid, 4-methyl-, 4-methylpentyl ester
 

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Notes:
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