tert-butyl mercaptan
2-methyl-2-propanthiol
Identification
| Name | tert-butyl mercaptan |
| IUPAC | 2-methylpropane-2-thiol |
| CAS Number | 75-66-1 |
| EINECS | 200-890-2 |
| FDA UNII | 489PW92WIV |
| Molecular Formula | C4 H10 S |
| Molecular Weight | 90.18870000 |
| MDL Number | MFCD00004857 |
| Nikkaji Number | J4.161K |
| Beilstein | 0505947 |
| CoE Number | 11537 |
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 SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 4729 mg/kg |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | inhalation-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
| Category | flavoring agents |
| Recommendation for tert-butyl mercaptan usage levels up to | not 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 Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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 |
Penta International Corporation
Chemistry innovation
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Potential Uses
Natural Occurrence
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.