4-heptanone, 2-mercapto-5-methyl-
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:
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
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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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
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
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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
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
None Found
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
Search Trop  Picture
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4-heptanone, 2-mercapto-5-methyl-
(±)-2-mercapto-5-methyl heptan-4-one
(±)-5-methyl-2-sulfanyl heptan-4-one
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 None found yet.
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