tert-butyl mercaptan

2-methyl-2-propanthiol

CAS: 75-66-1 C4 H10 S MW: 90.18870000

Identification

Nametert-butyl mercaptan
IUPAC2-methylpropane-2-thiol
CAS Number75-66-1
EINECS200-890-2
FDA UNII489PW92WIV
Molecular FormulaC4 H10 S
Molecular Weight90.18870000
MDL NumberMFCD00004857
Nikkaji NumberJ4.161K
Beilstein0505947
CoE Number11537

Regulatory

Physical Properties

Appearance colorless clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.79700 to 0.80300 @ 25.00 °C.
Pounds per Gallon - (est). 6.632 to 6.682
Refractive Index 1.41700 to 1.42300 @ 20.00 °C.
Melting Point -0.50 °C. @ 760.00 mm Hg
Boiling Point 64.30 °C. @ 760.00 mm Hg
Vapor Pressure 181.000000 mmHg @ 25.00 °C.
Vapor Density 3.1 ( Air = 1 )
Flash Point -12.00 °F. TCC ( -24.44 °C. )
logP (o/w) 2.206 (est)
Soluble in alcohol
Similar Items note

Organoleptic Properties

Odor Description sulfury

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral Toxicitygavage-rat LD50 4729 mg/kg
Dermal ToxicityNot determined
Inhalation Toxicityinhalation-rat LC50 22200 ppm/4H

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 tert-butyl mercaptan usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.0012 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)78 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)0.20000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.10000
Edible ices, including sherbet and sorbet (03.0)0.20000
Processed fruit (04.1)0.20000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)0.20000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.10000
Bakery wares (07.0)0.20000
Meat and meat products, including poultry and game (08.0)0.10000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.10000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.10000
Foodstuffs intended for particular nutritional uses (13.0)0.20000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.10000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.20000
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)0.10000

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Potential Uses

None Found

Natural Occurrence

cheese PMC

Synonyms

tert- butane thiol tert- butanethiol tert- butyl thiol tert- butylmercaptan tert- butylthiol 1,1- dimethylethanethiol 2- methyl propane-2-thiol 2- methyl-2-propane thiol 2- methyl-2-propanethiol 2- methyl-2-propanthiol 2- methylpropane-2-thiol propane-2-thiol, 2-methyl- 2- propanethiol, 2-methyl- PubMed: Direct Synthesis of Highly Conductive tert-Butylthiol-Capped CuInS2 Nanocrystals. PubMed: Ligand exchange on colloidal CdSe nanocrystals using thermally labile tert-butylthiol for improved photocurrent in nanocrystal films. PubMed: Improving open circuit potential in hybrid P3HT:CdSe bulk heterojunction solar cells via colloidal tert-butylthiol ligand exchange. PubMed: A cataluminescence gas sensor based on nanosized V2O5 for tert-butyl mercaptan. PubMed: SH-stretching vibrational spectra of ethanethiol and tert-butylthiol. PubMed: Conformationally specific vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of alkanethiols: structure and ionization of conformational isomers of ethanethiol, isopropanethiol, 1-propanethiol, tert-butanethiol, and 1-butanethiol. PubMed: Mechanistic study on adsorptive removal of tert-butanethiol on Ag-Y zeolite under ambient conditions. PubMed: Impact of Storage Conditions on the Stability of Volatile Sulfur Compounds in Sampling Bags. PubMed: Direct spectroscopic evidence of ultrafast electron transfer from a low band gap polymer to CdSe quantum dots in hybrid photovoltaic thin films. PubMed: Novel semi-random and alternating copolymer hybrid solar cells utilizing CdSe multipods as versatile acceptors. PubMed: Community health assessment following mercaptan spill: Eight Mile, Mobile County, Alabama, September 2012. PubMed: Stability of volatile sulfur compounds (VSCs) in sampling bags - impact of temperature. PubMed: Simultaneous determination of total and extracellular concentrations of the amino acid neurotransmitters in cat visual cortex by microbore liquid chromatography and electrochemical detection. PubMed: Fmoc-based synthesis of peptide thioesters for native chemical ligation employing a tert-butyl thiol linker. PubMed: Detection and characterization of a transport system mediating cysteamine entry into human fibroblast lysosomes. Specificity for aminoethylthiol and aminoethylsulfide derivatives. PubMed: Isocratic HPLC assay with electrochemical detection of free gamma-aminobutyric acid in cerebrospinal fluid. PubMed: Photoelectron spectroscopy and thermochemistry of the peroxyacetate anion. PubMed: Synthesis and biological evaluation of gallium polyaminothiols (PAT). PubMed: Chromatographic methods for determination of S-substituted cysteine derivatives--a comparative study. PubMed: Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. PubMed: Molar Refractivity and Connectivity Index Correlations for Henry's Law Virial Coefficients of Odorous Sulfur Compounds on Carbon and for Gas-Chromatographic Retention Indices. PubMed: A polyethylene glycol copolymer for carrying and releasing multiple copies of cysteine-containing peptides. PubMed: Reaction of organic nitrate esters and S-nitrosothiols with reduced flavins: a possible mechanism of bioactivation. PubMed: Determination of trace level gamma-aminobutyric acid using an improved OPA pre-column derivatization and on-column preconcentration capillary liquid chromatography with electrochemical detection. PubMed: Procedure for the sample preparation and handling for the determination of amino acids, monoamines and metabolites from microdissected brain regions of the rat. PubMed: Effect of trimethyltin on amino acid concentrations in different regions of the mouse brain. PubMed: Determination of baclofen and alpha-baclofen in rat liver homogenate and human urine using solid-phase extraction, o-phthalaldehyde-tert.-butyl thiol derivatization and high-performance liquid chromatography with amperometric detection. PubMed: Rapid method for micro-analysis of endogenous amino acid neurotransmitters in brain perfusates in the rat by isocratic HPLC-EC. PubMed: Targeting the cerebrovascular large neutral amino acid transporter (LAT1) isoform using a novel disulfide-based brain drug delivery system. PubMed: Highly selective palladium catalyzed kinetic resolution and enantioselective substitution of racemic allylic carbonates with sulfur nucleophiles: asymmetric synthesis of allylic sulfides, allylic sulfones, and allylic alcohols. PubMed: Extracellular perfusion of rat brain nuclei using microdialysis: a method for studying differential neurotransmitter release in response to neurotoxins. PubMed: HPLC of S-Alk(en)yl-L-cysteine Derivatives in Garlic including Quantitative Determination of (+)-S-Allyl-L-cysteine Sulfoxide (Alliin). PubMed: A new efficient enantioselective synthesis of (+)-cis-2-methyl-4-propyl-1,3-oxathiane, a valuable ingredient for the aroma of passion fruit. PubMed: Surface microscopic structure and electrochemical rectification of a branched alkanethiol self-assembled monolayer. PubMed: Inter- and intramolecular pathways for the formation of tetrahydrofurans from beta-(Phosphatoxy)alkyl radicals. Evidence for a dissociative mechanism PubMed: High-performance liquid chromatographic determination of baclofen in human plasma.