(±)-2-mercapto-5-methylheptan-4-one

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4-heptanone, 2-mercapto-5-methyl-

CAS: 1416051-88-1 C8 H16 O S MW: 160.27972000 tropical earthy

Identification

Name(±)-2-mercapto-5-methylheptan-4-one
IUPAC5-methyl-2-sulfanyl-4-heptanone
CAS Number1416051-88-1
FDA UNIIION6Z9RT3U
Molecular FormulaC8 H16 O S
Molecular Weight160.27972000
Beilstein26910448

Regulatory

FEMA Number4779
FDANo 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 Description at 0.01 % in ethyl alcohol.
Taste Description at 20.00 ppb in water.

Safety Information

Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for (±)-2-mercapto-5-methylheptan-4-one usage levels up tonot for fragrance use.
baked goods0.03000
beverages(nonalcoholic)0.01000
beverages(alcoholic)0.02000
breakfast cereal0.03000
cheese-
chewing gum0.10000
condiments / relishes0.01000
confectionery froastings0.05000
egg products-
fats / oils-
fish products-
frozen dairy0.05000
fruit ices0.00500
gelatins / puddings0.03000
granulated sugar-
gravies0.01000
hard candy0.10000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products-
nut products-
other grains-
poultry-
processed fruits0.02000
processed vegetables-
reconstituted vegetables-
seasonings / flavors0.00500
snack foods0.01000
soft candy0.05000
soups0.03000
sugar substitutes-
sweet sauces0.03000

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Potential Uses

None Found

Natural Occurrence

hazelnut

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 Try the PubMed Search.