2-(methyl thio) ethanol

2-(methylthio)ethanol

CAS: 5271-38-5 C3 H8 O S MW: 92.16096000 meaty

Identification

Name2-(methyl thio) ethanol
CAS Number5271-38-5
EINECS226-090-3
FDA UNII5K6TOE95UY
Molecular FormulaC3 H8 O S
Molecular Weight92.16096000
MDL NumberMFCD00002908
Nikkaji NumberJ25.044I
Beilstein1731081
CoE Number12179

Regulatory

JECFA Food Flavoring1297 2-(methylthio)ethanol
DG SANTE Food Flavourings12.179 2-(methylthio)ethan-1-ol
FEMA Number4004
FDANo longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF)5271-38-5 ; 2-(METHYLTHIO)ETHANOL

Physical Properties

Appearance colorless to pale yellow clear liquid (est)
Assay 98.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 1.05500 to 1.06500 @ 20.00 °C.
Pounds per Gallon - (est). 8.789 to 8.872
Refractive Index 1.49000 to 1.49800 @ 20.00 °C.
Boiling Point 169.00 to 171.00 °C. @ 760.00 mm Hg
Acid Value 1.00 max. KOH/g
Vapor Pressure 0.483000 mmHg @ 25.00 °C. (est)
Flash Point 158.00 °F. TCC ( 70.00 °C. )
logP (o/w) 0.131 (est)
Soluble in alcohol

Organoleptic Properties

Odor Description at 0.10 % in propylene glycol.

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 2-(methyl thio) ethanol usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.02 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA)0.90 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)348 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
baked goods8.00000
beverages(nonalcoholic)3.00000
beverages(alcoholic)-
breakfast cereal-
cheese-
chewing gum-
condiments / relishes3.00000
confectionery froastings-
egg products-
fats / oils-
fish products-
frozen dairy5.00000
fruit ices-
gelatins / puddings-
granulated sugar-
gravies4.00000
hard candy6.00000
imitation dairy3.00000
instant coffee / tea-
jams / jellies-
meat products3.00000
milk products3.00000
nut products-
other grains-
poultry-
processed fruits-
processed vegetables-
reconstituted vegetables-
seasonings / flavors-
snack foods4.00000
soft candy3.00000
soups4.00000
sugar substitutes-
sweet sauces-
Dairy products, excluding products of category 02.0 (01.0)0.60000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.04000
Edible ices, including sherbet and sorbet (03.0)0.50000
Processed fruit (04.1)-
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)0.20000
Confectionery (05.0)0.75000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.62000
Bakery wares (07.0)0.80000
Meat and meat products, including poultry and game (08.0)0.73000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.10000
Eggs and egg products (10.0)0.08000
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.45000
Foodstuffs intended for particular nutritional uses (13.0)-
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.50000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.10000
Ready-to-eat savouries (15.0)1.10000
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

FL meat

Natural Occurrence

passion fruit

Synonyms

ethanol, 2-(methylthio)- ethanol, 2-methylthio- hydroxyethyl methyl sulfide 2- hydroxyethyl methyl sulfide beta- hydroxyethyl methyl sulfide 2- methane sulfanyl ethanol 2- methanesulfanylethanol methyl 2-hydroxyethyl sulfide 2- methyl mercaptoethanol beta- methyl mercaptoethanol 2-( methyl thio) ethan-1-ol beta-( methyl thio) ethanol 2- methyl thioethanol 2-( methylmercapto)ethanol 2- methylmercaptoethanol 2-( methylsulfanyl)ethanol 2- methylsulfanylethanol 2- methylthio ethanol 2-( methylthio) ethanol 2-( methylthio)ethan-1-ol 2-( methylthio)ethanol beta-( methylthio)ethanol 2- methylthioethanol PubMed: Spontaneous formation in the dark, and visible light-induced cleavage, of a Ru-S bond in water: a thermodynamic and kinetic study. PubMed: Quantification of thiols and disulfides. PubMed: Ruthenium polypyridyl complexes hopping at anionic lipid bilayers through a supramolecular bond sensitive to visible light. PubMed: Prevention of the wortmannin-induced inhibition of phosphoinositide 3-kinase by sulfhydryl reducing agents. PubMed: Hydrogel nanocomposites: a potential UV/blue light filtering material for ophthalmic lenses. PubMed: Variation of some fermentative sulfur compounds in Italian "millesime" classic sparkling wines during aging and storage on lees. PubMed: Free radical polymers with tunable and selective bio- and chemical degradability. PubMed: Influence of the interaction between hydrogen sulfide and ionic liquids on solubility: experimental and theoretical investigation. PubMed: Glycine- and sarcosine-based models of vanadate-dependent haloperoxidases in sulfoxygenation reactions. PubMed: Solvent effects on the redox properties of thioethers. PubMed: A possible role for the covalent heme-protein linkage in cytochrome c revealed via comparison of N-acetylmicroperoxidase-8 and a synthetic, monohistidine-coordinated heme peptide. PubMed: Analysis of a model reaction system containing cysteine and (E)-2-methyl-2-butenal, (E)-2-hexenal, or mesityl oxide. PubMed: Comparison of thioethers and sulfoxides as axial ligands for N-acetylmicroperoxidase-8: implications for oxidation of methionine-80 in cytochrome c. PubMed: Thiol methyltransferase activity in inflammatory bowel disease. PubMed: Interactions in nonnative and truncated forms of staphylococcal nuclease as indicated by mutational free energy changes. PubMed: Thiol oxidation by 1,2,3-oxadiazolinium ions, presumed carcinogens. PubMed: Thiol methyltransferase activity in colonocytes and erythrocyte membranes. PubMed: Sequential methylation of 2-mercaptoethanol to the dimethyl sulfonium ion, 2-(dimethylthio)ethanol, in vivo and in vitro. PubMed: Biosynthesis and urinary excretion of methyl sulfonium derivatives of the sulfur mustard analog, 2-chloroethyl ethyl sulfide, and other thioethers. PubMed: Reduction processes in fast atom bombardment mass spectrometry: interdependence of analyte and matrix redox potentials. PubMed: Effects of charge, volume, and surface on binding of inhibitor and substrate moieties to acetylcholinesterase. PubMed: Comparison of 6-thioguanine-resistant mutation and sister chromatid exchanges in Chinese hamster V79 cells with forty chemical and physical agents. PubMed: Preparation of coenzyme M analogues and their activity in the methyl coenzyme M reductase system of Methanobacterium thermoautotrophicum.