3-mercapto-3-methyl butyl isovalerate

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(3-methyl-3-sulfanylbutyl) 3-methylbutanoate

CAS: 612071-27-9 C10 H20 O2 S MW: 204.33280000

Identification

Name3-mercapto-3-methyl butyl isovalerate
CAS Number612071-27-9
FDA UNIIHJX835LB3C
Molecular FormulaC10 H20 O2 S
Molecular Weight204.33280000

Regulatory

JECFA Food Flavoring1927 3-mercapto-3-methylbutyl isovalerate
FEMA Number4584
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)612071-27-9 ; 3-MERCAPTO-3-METHYLBUTYL ISOVALERATE

Physical Properties

Appearance colorless to yellow clear liquid (est)
Assay 97.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.94900 to 0.95900 @ 20.00 °C.
Pounds per Gallon - (est). 7.906 to 7.989
Refractive Index 1.45000 to 1.46000 @ 20.00 °C.
Boiling Point 70.00 °C. @ 11.00 mm Hg
Flash Point 258.00 °F. TCC ( 125.50 °C. ) (est)
logP (o/w) 3.240 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description fruity sulfurous

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 3-mercapto-3-methyl butyl isovalerate usage levels up tonot for fragrance use.
baked goods0.10000
beverages(nonalcoholic)0.00001
beverages(alcoholic)-
breakfast cereal0.02000
cheese-
chewing gum-
condiments / relishes0.00010
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices0.10000
gelatins / puddings-
granulated sugar-
gravies-
hard candy0.10000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products-
milk products0.10000
nut products0.00010
other grains0.00010
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods-
soft candy-
soups0.10000
sugar substitutes-
sweet sauces0.10000

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612071-27-9 3-Mercaptomethylbutyl isovalerate
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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

butanoic acid, 3-methyl-, 3-mercapto-3-methylbutyl ester 3- mercapto-3-methylbutyl isovalerate 3- mercapto-3methylbutyl isovalerate 3- methyl butanoic acid 3-mercapto-3-methyl butyl ester 3- methyl-3-sulfanylbutyl 3-methylbutanoate (3- methyl-3-sulfanylbutyl) 3-methylbutanoate 3- methylbutanoic acid 3-mercapto-3-methylbutyl ester Try the PubMed Search.