tert-Butyl mercaptan - ≥99% , CAS No.75-66-1

CAS: 75-66-1 Cat. No.: B100006 Molecular Weight: 90.19 Beilstein Registry Number: 505947 EC Number: 200-890-2
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
BRN 0505947 | tert-Butyl mercaptan | M0405 | STL264247 | terbutyl mercaptan | Q973473 | TBM | 4-01-00-01634 (Beilstein Handbook Reference) | MFCD00004857 | 2-Isobutanethiol | DTXCID906418 | HSDB 1611 | tertbutanethiol | tert-Butanethiol | Tox21_200874 | D
Storage
Room temperature
Shipped In
FedEx DG Service
Size
Status
Price
Qty
25ml
B100006-25ml
≥10
$9.90
100ml
B100006-100ml
1
$20.90
500ml
B100006-500ml
3
$49.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 2 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2-Methyl-2-propanethiol undergoes ring opening nucleophilic reaction with 3-isothiazolones and reaction kinetics studies suggested reaction was second order in thiol and third order overall.
2-Methyl-2-propanethiol was used in reaction of 2-methyl-2-propanethiol on Mo(110) using temperature programmed reaction, high resolution electron enegy loss and X-ray photoelectron spectroscopies. It was used in the synthesis of chain-transfer agents for reversible addition-fragmentation chain-transfer copolymerization of vinylidene chloride and methyl acrylate.

Specifications

Synonyms
BRN 0505947 | tert-Butyl mercaptan | M0405 | STL264247 | terbutyl mercaptan | Q973473 | TBM | 4-01-00-01634 (Beilstein Handbook Reference) | MFCD00004857 | 2-Isobutanethiol | DTXCID906418 | HSDB 1611 | tertbutanethiol | tert-Butanethiol | Tox21_200874 | D
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
FedEx DG Service
Purity
≥99%
Names and Identifiers
Pubchem Sid504751082
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751082
Canonical SmilesCC(C)(C)S
IUPAC Name2-methylpropane-2-thiol
InChIKeyWMXCDAVJEZZYLT-UHFFFAOYSA-N
INCHI1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
Isomeric SMILES CC(C)(C)S
WGK Germany 3
RTECS TZ7660000
UN Number 2347
Packing Group II
Molecular Weight 90.19
Beilstein 505947
Reaxy-Rn 505947
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=505947&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alkylthiols. These are organic compounds containing the thiol functional group linked to an alkyl chain.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

17 results found

Lot NumberCertificate TypeDateItem
A2203049Certificate of AnalysisOct 13, 2025 B100006
A2203050Certificate of AnalysisOct 13, 2025 B100006
A2203047Certificate of AnalysisOct 13, 2025 B100006
G2107036Certificate of AnalysisApr 08, 2025 B100006
G2508179Certificate of AnalysisJul 06, 2024 B100006
G2030069Certificate of AnalysisMay 08, 2024 B100006
D2009092Certificate of AnalysisJan 22, 2024 B100006
C2308718Certificate of AnalysisMar 10, 2023 B100006
D23241017Certificate of AnalysisMar 08, 2023 B100006
D23241028Certificate of AnalysisMar 08, 2023 B100006
D23241029Certificate of AnalysisMar 08, 2023 B100006
D23241030Certificate of AnalysisMar 08, 2023 B100006
D23241031Certificate of AnalysisMar 08, 2023 B100006
D23241032Certificate of AnalysisMar 08, 2023 B100006
D2624525Certificate of AnalysisMar 08, 2023 B100006
B2513012Certificate of AnalysisMar 08, 2023 B100006
C2308716Certificate of AnalysisJan 06, 2022 B100006

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Chemical and Physical Properties
SolubilitySlightly soluble in water, soluble in liquid hydrogen sulfide, highly soluble in alcohol and ether.
Refractive Index1.42
Flash Point(°F)-13 °F
Flash Point(°C)-24 °C
Boil Point(°C)64°C
Melt Point(°C)-1°C(lit.)
Molecular Weight90.190 g/mol
XLogP31.500
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass90.0503 Da
Monoisotopic Mass90.0503 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count5
Formal Charge0
Complexity25.100
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Tingting Huang, Qingyi Peng, Wenjin Shi, Jundong Xu, Yu Fan.  (2018)  An anionic surfactant-assisted equilibrium adsorption method to prepare highly dispersed Fe-promoted Ni/Al2O3 catalysts for highly selective mercaptan removal.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2018.02.053]
2. Longyun Dong, Fengming Bi, Ze Li, Yu Kuai.  (2025)  Design and Application of Macro-RAFT Copolymer for pH-Switchable Coagulation and Redispersion Acrylic Emulsions.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.57448]
Solution Calculators
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