(±)-2-mercapto-5-methylheptan-4-one
4-heptanone, 2-mercapto-5-methyl-
 
Notes:
None found
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5-methyl-2-sulfanyl-4-heptanone (Click)
CAS Number: 1416051-88-1Picture of molecule
Beilstein Number: 26910448
Molecular Weight: 160.27972000
Formula: C8 H16 O S
NMR Predictor: Predict (works with chrome or firefox)
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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FEMA Number: 4779  ()-2-mercapto-5-methylheptan-4-one
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Physical Properties:
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Soluble in:
 water, 1292 mg/L @ 25 °C (est)
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Organoleptic Properties:
Odor Type: tropical
 gassy  tropical  grapefruit  grape  
Odor Description:
at 0.01 % in ethyl alcohol. 
gassy, tropical, grapefruit, muscat grape, grapes on the vine
 mushroom  meaty  roasted  nutty  toasted  hazelnut  
Taste Description:
at 20.00 ppb in water.  
mushroom, meaty, roasted, nutty, toasted, and hazelnut
  
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Cosmetic Information:
None found
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Suppliers:
Natural Advantage
(±)-2-Mercapto-5-methylheptan-4-one Nat (Hazeltone Mercaptan Nat)
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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: flavoring agents
Recommendation for (±)-2-mercapto-5-methylheptan-4-one 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: 27
Click here to view publication 27
 average usual ppmaverage maximum ppm
baked goods: 0.030000.10000
beverages(nonalcoholic): 0.010000.10000
beverages(alcoholic): 0.020000.10000
breakfast cereal: 0.030000.10000
cheese: --
chewing gum: 0.100000.20000
condiments / relishes: 0.010000.10000
confectionery froastings: 0.050000.10000
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.050000.10000
fruit ices: 0.005000.05000
gelatins / puddings: 0.030000.10000
granulated sugar: --
gravies: 0.010000.10000
hard candy: 0.100000.20000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: --
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: 0.020000.10000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 0.005000.20000
snack foods: 0.010000.10000
soft candy: 0.050000.10000
soups: 0.030000.10000
sugar substitutes: --
sweet sauces: 0.030000.10000
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
National Institute of Allergy and Infectious Diseases: Data
 5-methyl-2-sulfanyl-4-heptanone
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References:
 5-methyl-2-sulfanyl-4-heptanone
NIST Chemistry WebBook: Search Inchi
Pubchem (cas): 1416051-88-1
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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
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
2-acetyl furanFL/FR
coffee
 coffea arabica seed extractFL/FR
earthy
 nutty pyrazineFL/FR
fruity
3-mercaptohexyl acetateFL/FR
musty
 hazelnut pyrazineFL/FR
nutty
3-acetyl pyridineFL/FR
2-acetyl-3,5-dimethyl pyrazineFL/FR
3,6-cocoa pyrazineFL/FR
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
(-)-(E,R)-filbertoneFL/FR
(+)-(E,S)-filbertoneFL/FR
european hazelnut absoluteFL/FR
roasted hazelnut infusionsFL/FR
european hazelnut oil CO2 extractFL/FR
5-methyl quinoxalineFL/FR
2,4,5-trimethyl oxazoleFL/FR
popcorn
2-acetyl pyrazineFL/FR
 trigonella foenum-graecum seed oil CO2 extractFL/FR
 
For Flavor
 
alliaceous
3-mercapto-2-pentanoneFL
astringent
2-methyl pyridineFL
burnt
2-methyl quinoxalineFL
2,4,5-trimethyl oxazoleFL/FR
caramellic
toasted maple nut flavorFL
cocoa
 chocolate enhancersFL
coffee
 coffea arabica seed extractFL/FR
green
2,5-dimethyl-4-ethyl oxazoleFL
3-methyl pyridineFL
1-(5-methyl-2-furyl) propan-1-oneFL
meaty
2-mercaptomethyl pyrazineFL
roasted pork flavorFL
2-pyridinyl methane thiolFL
roast turkey flavorFL
musty
 hazelnut pyrazineFL/FR
nutty
2-acetyl furanFL/FR
3-acetyl pyridineFL/FR
3-acetyl-2,5-dimethyl thiopheneFL
2-acetyl-3,5-dimethyl pyrazineFL/FR
 almond hazelnut flavorFL
 arachis hypogaea fruit extractFL
2-butyl-2-butenalFL
toasted chestnut flavorFL
roasted chestnut flavorFL
3,6-cocoa pyrazineFL/FR
2,5-diethyl pyrazineFL
2,5-diethyl-3-methyl pyrazineFL
2-ethyl-6-methyl pyrazineFL
 filbert heptenoneFL/FR
 filbert heptenone BFL/FR
(-)-(E,R)-filbertoneFL/FR
(+)-(E,S)-filbertoneFL/FR
european hazelnut absoluteFL/FR
european hazelnut distillatesFL
 hazelnut flavorFL
roasted hazelnut infusionsFL/FR
european hazelnut oil CO2 extractFL/FR
european hazelnut oleoresinFL
 hazelnut pasteFL
5-methyl quinoxalineFL/FR
 nutty pyrazineFL/FR
 nutty thiazoleFL
 sesame distillatesFL
roasted sesame seed oilFL
roasted
2-acetyl pyrazineFL/FR
3,5-diisobutyl-1,2,4-trithiolaneFL
 ethyl 3-(furfuryl thio) propionateFL
 trigonella foenum-graecum seed oil CO2 extractFL/FR
spicy
 chocolate cinnamon hazelnut flavorFL
 cinnamon hazelnut cappuccino flavorFL
 cinnamon hazelnut cream flavorFL
sulfurous
 roasted butanolFL
tropical
3-mercaptohexyl acetateFL/FR
vanilla
 vanilla hazelnut flavorFL
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 hazelnut
Search Trop  Picture
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Synonyms:
4-heptanone, 2-mercapto-5-methyl-
(±)-2-mercapto-5-methyl heptan-4-one
(±)-5-methyl-2-sulfanyl heptan-4-one
5-methyl-2-sulfanyl-4-heptanone
(±)-5-methyl-2-sulfanylheptan-4-one
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Articles:
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