3-mercapto-3-methyl butanol

3-mercapto-3-methyl-1-butanol

CAS: 34300-94-2 C5 H12 O S MW: 120.21484000 meaty meaty

Identification

Name3-mercapto-3-methyl butanol
IUPAC3-methyl-3-sulfanylbutan-1-ol
CAS Number34300-94-2
FDA UNII1RF3LN9685
Molecular FormulaC5 H12 O S
Molecular Weight120.21484000
MDL NumberMFCD00101881
Nikkaji NumberJ937.258J

Regulatory

JECFA Food Flavoring544 3-mercapto-3-methyl-1-butanol
DG SANTE Food Flavourings12.137 3-mercapto-3-methylbutan-1-ol
FEMA Number3854
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)34300-94-2 ; 3-MERCAPTO-3-METHYL-1-BUTANOL

Physical Properties

Appearance colorless clear liquid (est)
Assay 96.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.98300 to 0.98900 @ 20.00 °C.
Pounds per Gallon - (est). 8.189 to 8.239
Refractive Index 1.48000 to 1.49000 @ 20.00 °C.
Boiling Point 186.00 °C. @ 730.00 mm Hg
Vapor Pressure 0.150000 mmHg @ 25.00 °C. (est)
Flash Point 145.00 °F. TCC ( 62.78 °C. )
logP (o/w) 0.930 (est)
Soluble in acetone

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.
Taste Description
powerful meaty, beef juice and gravy notes. Presented in 10% dilution
Very powerful meaty, beef juice and gravy notes. Presented in 10% dilution

Safety Information

Preferred SDSView
European informationMost important hazard(s):
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 butanol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)6.80 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)2.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)7.2 (μg/person/day)
Threshold of Concern90 (μg/person/day)
Structure ClassIII
baked goods0.02000
beverages(nonalcoholic)0.01000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum0.10000
condiments / relishes-
confectionery froastings0.01000
egg products-
fats / oils-
fish products-
frozen dairy0.01000
fruit ices-
gelatins / puddings0.01000
granulated sugar-
gravies0.02000
hard candy0.02000
imitation dairy-
instant coffee / tea-
jams / jellies-
meat products0.02000
milk products0.01000
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods0.02000
soft candy0.01000
soups0.02000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)0.01000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)-
Edible ices, including sherbet and sorbet (03.0)-
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)0.02000
Chewing gum (05.3)0.10000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.01000
Bakery wares (07.0)0.02000
Meat and meat products, including poultry and game (08.0)0.02000
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)0.02000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.01000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)-
Ready-to-eat savouries (15.0)0.02000
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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WholeChem, LLC

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Potential Uses

FL beef FL broth FL coffee FL meat FL savory

Natural Occurrence

coffee PMC currant black currant fruit juice passion fruit juice wine

Synonyms

butan-1-ol, 3-mercapto-3-methyl- 1- butanol, 3-mercapto-3-methyl- 3- mercapto-3-methyl butan-1-ol 3- mercapto-3-methyl-1-butanol 3- mercapto-3-methylbutan-1-ol 3- mercapto-3-methylbutanol mercaptomethyl butanol mercaptomethylbutanol mercaptomethylbutanol 10 TRIAC 3- methyl-3-sulfanyl-1-butanol 3- methyl-3-sulfanylbutan-1-ol PubMed: Identification of potent odourants in wine and brewed coffee using gas chromatography-olfactometry and comprehensive two-dimensional gas chromatography. PubMed: Relationship between nitrogen content in grapes and volatiles, namely heavy sulphur compounds, in wines. PubMed: Construction and evaluation of self-cloning bottom-fermenting yeast with high SSU1 expression. PubMed: Thresholds and chemosensory event-related potentials to malodors before, during, and after puberty: differences related to sex and age. PubMed: A major urinary protein of the domestic cat regulates the production of felinine, a putative pheromone precursor. PubMed: Elucidating drug-metalloprotein interactions with tris(pyrazolyl)borate model complexes. PubMed: Influence of human salivary enzymes on odorant concentration changes occurring in vivo. 1. Esters and thiols. PubMed: Identification of cysteinylated aroma precursors of certain volatile thiols in passion fruit juice. PubMed: Optically active antifungal azoles. I. Synthesis and antifungal activity of (2R,3R)-2-(2,4-difluorophenyl)-3-mercapto-1-(1H-1,2,4-triazol-1-yl)-2-b utanol and its stereoisomers.