EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

(±)-2-mercapto-5-methylheptan-4-one
4-heptanone, 2-mercapto-5-methyl-

Sponsors

Name:5-methyl-2-sulfanyl-4-heptanone
CAS Number: 1416051-88-1Picture of molecule3D/inchi
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
FDA:No longer provide for the use of these seven synthetic flavoring substances
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Soluble in:
 water, 1292 mg/L @ 25 °C (est)
 
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
Flavor Type: earthy
">mushroom meaty roasted nutty toasted hazelnut
Taste Description: at 20.00 ppb in water. mushroom, meaty, roasted, nutty, toasted, and hazelnut
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
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
 
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-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
 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
 
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
 
References:
 5-methyl-2-sulfanyl-4-heptanone
NIST Chemistry WebBook:Search Inchi
Pubchem (cas):1416051-88-1
 
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
balsamic
2-
acetyl furan
FL/FR
coffee
coffea arabica seed extract
FL/FR
earthy
nutty pyrazine
FL/FR
fruity
3-
mercaptohexyl acetate
FL/FR
musty
hazelnut pyrazine
FL/FR
nutty
3-
acetyl pyridine
FL/FR
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
3,6-
cocoa pyrazine
FL/FR
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
(+)-(E,S)-
filbertone
FL/FR
(-)-(E,R)-
filbertone
FL/FR
european
hazelnut absolute
FL/FR
roasted
hazelnut infusions
FL/FR
european
hazelnut oil CO2 extract
FL/FR
5-
methyl quinoxaline
FL/FR
2,4,5-
trimethyl oxazole
FL/FR
popcorn
2-
acetyl pyrazine
FL/FR
roasted
trigonella foenum-graecum seed oil CO2 extract
FL/FR
For Flavor
alliaceous
3-
mercapto-2-pentanone
FL
astringent
2-
methyl pyridine
FL
burnt
2-
methyl quinoxaline
FL
2,4,5-
trimethyl oxazole
FL/FR
caramellic
toasted
maple nut flavor
FL
cocoa
chocolate enhancers
FL
coffee
coffea arabica seed extract
FL/FR
green
2,5-
dimethyl-4-ethyl oxazole
FL
3-
methyl pyridine
FL
1-(5-
methyl-2-furyl) propan-1-one
FL
meaty
2-
mercaptomethyl pyrazine
FL
roasted
pork flavor
FL
2-
pyridinyl methane thiol
FL
roast
turkey flavor
FL
musty
hazelnut pyrazine
FL/FR
nutty
2-
acetyl furan
FL/FR
3-
acetyl pyridine
FL/FR
3-
acetyl-2,5-dimethyl thiophene
FL
2-
acetyl-3,5-dimethyl pyrazine
FL/FR
almond hazelnut flavor
FL
arachis hypogaea fruit extract
FL
2-
butyl-2-butenal
FL
roasted
chestnut flavor
FL
toasted
chestnut flavor
FL
3,6-
cocoa pyrazine
FL/FR
2,5-
diethyl pyrazine
FL
2,5-
diethyl-3-methyl pyrazine
FL
2-
ethyl-6-methyl pyrazine
FL
filbert heptenone
FL/FR
filbert heptenone B
FL/FR
(+)-(E,S)-
filbertone
FL/FR
(-)-(E,R)-
filbertone
FL/FR
european
hazelnut absolute
FL/FR
european
hazelnut distillates
FL
hazelnut flavor
FL
roasted
hazelnut infusions
FL/FR
european
hazelnut oil CO2 extract
FL/FR
european
hazelnut oleoresin
FL
hazelnut paste
FL
5-
methyl quinoxaline
FL/FR
nutty pyrazine
FL/FR
nutty thiazole
FL
sesame distillates
FL
roasted
sesame seed oil
FL
roasted
2-
acetyl pyrazine
FL/FR
3,5-
diisobutyl-1,2,4-trithiolane
FL
ethyl 3-(furfuryl thio) propionate
FL
trigonella foenum-graecum seed oil CO2 extract
FL/FR
spicy
chocolate cinnamon hazelnut flavor
FL
cinnamon hazelnut cappuccino flavor
FL
cinnamon hazelnut cream flavor
FL
sulfurous
roasted butanol
FL
tropical
3-
mercaptohexyl acetate
FL/FR
vanilla
vanilla hazelnut flavor
FL
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 hazelnut
Search Trop Picture
 
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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