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2-hydroxy-5-methyl-3-hexanone
2-hydroxy-5-methylhexan-3-one

Supplier Sponsors

Name:2-hydroxy-5-methylhexan-3-one
CAS Number: 246511-74-0Picture of molecule3D/inchi
FDA UNII:F06LL2B56F
Nikkaji Web:J1.532.198I
XlogP3-AA:1.00 (est)
Molecular Weight:130.18698000
Formula:C7 H14 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:3989 2-hydroxy-5-methyl-3-hexanone
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):246511-74-0 ; 2-HYDROXY-5-METHYL-3-HEXANONE
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Boiling Point: 172.21 °C. @ 760.00 mm Hg (est)
Vapor Pressure:0.426000 mmHg @ 25.00 °C. (est)
Flash Point: 147.00 °F. TCC ( 63.89 °C. )
logP (o/w): 0.978 (est)
Soluble in:
 alcohol
 water
 water, 3.878e+004 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor Description:sweet chocolate
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Axsyn
For experimental / research use only.
3-Hexanone,2-hydroxy-5-methyl-
Parchem
2-hydroxy-5-methyl-3-hexanone
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 2-hydroxy-5-methyl-3-hexanone usage levels up to:
 not for fragrance use.
 
Structure Class: II
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: 20
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): 3.000006.00000
beverages(alcoholic): 3.000008.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 3.000007.00000
fruit ices: --
gelatins / puddings: 3.500009.00000
granulated sugar: --
gravies: --
hard candy: --
imitation dairy: 3.500006.00000
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: 3.500006.00000
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 :10920542
National Institute of Allergy and Infectious Diseases:Data
2-hydroxy-5-methylhexan-3-one
Chemidplus:0246511740
 
References:
 2-hydroxy-5-methylhexan-3-one
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):10920542
Pubchem (sid):135267140
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):Search
FooDB:FDB009605
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
aldehydic
iso
valeraldehyde
FL/FR
anisic
methyl para-anisate
FL/FR
balsamic
amyl phenyl acetate
FL/FR
prenyl benzoate
FL/FR
caramellic
iso
propenyl pyrazine
FL/FR
chocolate
iso
amyl phenyl acetate
FL/FR
chocolate pyrazine A
FL/FR
chocolate tincture
FL/FR
cocoa hexenal
FL/FR
cocoa oleoresin
FL/FR
2-
methoxypyrazine
FL/FR
2-
methyl butyraldehyde
FL/FR
tetrahydrofurfuryl phenyl acetate
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
vanillyl ethyl ether
FL/FR
cocoa
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
cocoa absolute
FL/FR
cocoa resinoid
FL/FR
coffee
coffee absolute
FL/FR
earthy
bean pyrazine
FL/FR
floral
alpha-
amyl cinnamyl acetate
FL/FR
amyl salicylate
FL/FR
honey
butyl phenyl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
(-)-(E,R)-
filbertone
FL/FR
2-
methyl pyrazine
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
sulfurous
cocoa essence
FL/FR
sweet
vanilla oleoresin bali
FL/FR
vanilla
ethyl vanillin isobutyrate
FL/FR
vanillin
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl isobutyrate
FL/FR
vegetable
mesityl oxide
FL/FR
woody
cinnamyl tiglate
FL/FR
For Flavor
No flavor group found for these
amyl phenyl acetate
FL/FR
bean pyrazine
FL/FR
2-iso
butyl-3,5-(and 3,6)-dimethyl pyrazine
FL/FR
chocolate pyrazine A
FL/FR
cinnamyl tiglate
FL/FR
3(2)-
hydroxy-5-methyl-2(3)-hexanone
FL
2-
methoxypyrazine
FL/FR
methyl para-anisate
FL/FR
2-
methyl-3-ethoxypyrazine
FL/FR
prenyl benzoate
FL/FR
2-iso
propyl-4-methyl-3-thiazoline
FL
pyrazines mixture
FL
tetrahydrofurfuryl phenyl acetate
FL/FR
aromatic
aromatic
amyl salicylate
FL/FR
bitter
cocoa pyrazines base (mixture of pyrazines)
FL
burnt
iso
propenyl pyrazine
FL/FR
cabbage
methyl 2-thiofuroate
FL
chocolate
chocolate tincture
FL/FR
cocoa essence
FL/FR
cocoa oleoresin
FL/FR
cocoa propanal
FL
cocoa
cocoa absolute
FL/FR
cocoa distillates
FL
cocoa hexenal
FL/FR
cocoa resinoid
FL/FR
2-
methyl furan
FL
coffee
coffee absolute
FL/FR
earthy
alpha-
amyl cinnamyl acetate
FL/FR
floral
iso
amyl phenyl acetate
FL/FR
fruity
iso
valeraldehyde
FL/FR
fusel
2-
methyl butyraldehyde
FL/FR
honey
butyl phenyl acetate
FL/FR
meaty
3-
mercapto-2-butanone
FL
musty
hazelnut pyrazine
FL/FR
nutty
3,5(6)-
cocoa pyrazine
FL
4,5-
dimethyl-2-ethyl-3-thiazoline
FL/FR
(-)-(E,R)-
filbertone
FL/FR
2-
methyl pyrazine
FL/FR
2,4,5-
trimethyl thiazole
FL/FR
phenolic
propyl 2-furoate
FL
potato
mesityl oxide
FL/FR
roasted
2-
acetyl pyrazine
FL/FR
rummy
vanillyl ethyl ether
FL/FR
sulfurous
O-
ethyl S-1-methoxyhexan-3-yl carbonothioate
FL
sweet
vanilla oleoresin bali
FL/FR
vanilla
ethyl vanillin isobutyrate
FL/FR
vanillin
FL/FR
vanillin propylene glycol acetal
FL/FR
vanillyl isobutyrate
FL/FR
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 sherry
Search PMC Picture
 soysauce
Search PMC Picture
 
Synonyms:
 hexan-3-one, 2-hydroxy-5-methyl-
3-hexanone, 2-hydroxy-5-methyl-
2-hydroxy-5-methylhexan-3-one
 
 
Notes:
Used as a food additive [EAFUS]
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