4-mercapto-3-methyl-2-butanol

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2-butanol, 4-mercapto-3-methyl-

CAS: 33959-27-2 C5 H12 O S MW: 120.21484000 sulfurous

Identification

Name4-mercapto-3-methyl-2-butanol
IUPAC3-methyl-4-sulfanyl-butan-2-ol
CAS Number33959-27-2
FDA UNII39ZUV0K5ZO
Molecular FormulaC5 H12 O S
Molecular Weight120.21484000

Regulatory

JECFA Food Flavoring2084 4-mercapto-3-methyl-2-butanol
DG SANTE Food Flavourings12.302 2-butanol, 4-mercapto-3-methyl-
FEMA Number4698
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)33959-27-2 ; 4-MERCAPTO-3-METHYL-2-BUTANOL

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.96800 to 0.98000 @ 25.00 °C.
Pounds per Gallon - (est). 8.055 to 8.155
Refractive Index 1.47200 @ 20.00 °C.
Boiling Point 190.10 °C. @ 760.00 mm Hg
Vapor Pressure 0.150000 mmHg @ 25.00 °C. (est)
Flash Point 156.00 °F. TCC ( 68.80 °C. ) (est)
logP (o/w) 1.117 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

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 4-mercapto-3-methyl-2-butanol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.061 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)69 (μg/person/day)
Threshold of Concern540 (μg/person/day)
Structure ClassII
baked goods0.20000
beverages(nonalcoholic)-
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes0.20000
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy-
fruit ices-
gelatins / puddings-
granulated sugar-
gravies0.20000
hard candy-
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products0.20000
milk products-
nut products-
other grains-
poultry0.20000
processed fruits-
processed vegetables0.20000
reconstituted vegetables-
seasonings / flavors0.20000
snack foods0.20000
soft candy-
soups0.20000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)-
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)0.20000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)0.20000
Confectionery (05.0)-
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)-
Bakery wares (07.0)0.40000
Meat and meat products, including poultry and game (08.0)0.40000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)-
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.40000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)0.40000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)-

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Potential Uses

None Found

Natural Occurrence

not found in nature

Synonyms

2- butanol, 4-mercapto-3-methyl- 4- mercapto-3-methylbutan-2-ol 3- methyl-4-sulfanyl-2-butanol 3- methyl-4-sulfanylbutan-2-ol 4- thio-3-methyl-2-butanol Leffingwell & Associates: Flavor Properties of FEMA GRAS List 25 flavor chemicals