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methyl 2-hydroxy-4-methyl valerate
methyl 2-hydroxy-4-methylpentanoate

Sponsors

Name:methyl 2-hydroxy-4-methylpentanoate
CAS Number: 40348-72-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:254-883-4
FDA UNII:G89113PPP5
Nikkaji Web:J127.946G
CoE Number:9548
XlogP3-AA:1.20 (est)
Molecular Weight:146.18618000
Formula:C7 H14 O3
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
JECFA evaluated methyl 2-hydroxy-4-methylpentanoate (CASrn as in Register). (R)- or (S)-enantiomer not specified by Register CASrn.
Category:flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
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Perfumer and Flavorist:Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
JECFA Food Flavoring:590 methyl 2-hydroxy-4-methylpentanoate
FLAVIS Number:09.548 (Old)
DG SANTE Food Flavourings:09.548 methyl 2-hydroxy-4-methylvalerate
FEMA Number:3706 methyl 2-hydroxy-4-methylpentanoate
FDA Mainterm: METHYL 2-HYDROXY-4-METHYLPENTANOATE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.95100 to 0.95700 @ 20.00 °C.
Pounds per Gallon - (est).: 7.922 to 7.972
Refractive Index:1.42500 to 1.43500 @ 20.00 °C.
Boiling Point: 72.00 °C. @ 10.00 mm Hg
Vapor Pressure:0.247000 mm/Hg @ 25.00 °C. (est)
Flash Point: 150.00 °F. TCC ( 65.56 °C. )
logP (o/w): 0.824 (est)
Soluble in:
 alcohol
 fats
 water, slightly
 water, 6.122e+004 mg/L @ 25 °C (est)
Insoluble in:
 water
 
Organoleptic Properties:
Odor Type: fruity
Odor Strength:medium
sweet fruity musty
Odor Description:at 100.00 %. sweet fruity musty
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
Pentanoic acid,2-hydroxy-4-methyl-, methyl ester
BOC Sciences
For experimental / research use only.
methyl 2-hydroxy-4-methylvalerate
Parchem
methyl 2-hydroxy-4-methyl valerate
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:
oral-mouse LD50 4000 mg/kg
(Pellmont, 1978)

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavoring agents
Recommendation for methyl 2-hydroxy-4-methyl valerate usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.49 (μg/capita/day)
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: 13
 average usual ppmaverage maximum ppm
baked goods: -10.00000
beverages(nonalcoholic): -0.50000
beverages(alcoholic): -2.50000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.50000
fruit ices: --
gelatins / puddings: -2.50000
granulated sugar: --
gravies: --
hard candy: -5.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: -5.00000
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:
European Food Safety Athority(efsa):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
European Food Safety Authority (EFSA) reference(s):
Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to - Flavouring Group Evaluation 10: Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 10, Revision 1 (FGE10 Rev1)[1] - Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food (AFC)
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 10, Revision 2 (FGE.10Rev2): Aliphatic primary and secondary saturated and unsaturated alcohols, aldehydes, acetals, carboxylic acids and esters containing an additional oxygenated functional group and lactones from chemical groups 9, 13 and 30
View page or View pdf
EPI System: View
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :62908
National Institute of Allergy and Infectious Diseases:Data
methyl 2-hydroxy-4-methylpentanoate
Chemidplus:0040348729
 
References:
 methyl 2-hydroxy-4-methylpentanoate
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):62908
Pubchem (sid):135020215
Pherobase:View
 
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):HMDB36231
FooDB:FDB015089
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
FAO:Methyl 2-hydroxy-4-methylpentanoate
 
Potential Blenders and core components note
For Odor
For Flavor
burnt
furfuryl alcohol
FL
fusel
3-
methyl-2-butanol
FL
 
Potential Uses:
 fruit
 
Occurrence (nature, food, other):note
 annona fruit
Search PMC Picture
 baccaurea motleyana
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 champa
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 eupomatia bennettii
Search Trop Picture
 lansium domesticum correa
Search Trop Picture
 snake fruit
Search Trop Picture
 
Synonyms:
2-hydroxy-4-methyl pentanoic acid methyl ester
2-hydroxy-4-methyl valeric acid methyl ester
 methyl 2-hydroxy-4-methyl pentanoate
 methyl 2-hydroxy-4-methylpentanoate
 methyl 2-hydroxy-4-methylvalerate
 methyl 2-hydroxyisocaproate
 pentanoic acid, 2-hydroxy-4-methyl-, methyl ester
 valeric acid, 2-hydroxy-4-methyl-, methyl ester
 

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Notes:
Flavouring ingredient
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