2-Ethylbenzenethiol - ≥95% , CAS No.4500-58-7

CAS: 4500-58-7 Cat. No.: E101792 Molecular Weight: 138.23 Beilstein Registry Number: 6(4)3015 EC Number: 224-811-6
AVAILABLE TO ORDER
GRADE & PURITY ≥95%
Synonyms
2-Ethylbenzenethiol, technical grade, 90% | 2-ethylbenzene-1-thiol | 2-ETHYLBENZOTHIOL | AI3-15524 | 2-ethyl thiophenol | MFCD00010022 | W-106168 | 2-ethyl mercaptophenol | 2-Ethylthiophenol | 2-ethylthio-phenol | Q27263484 | o-Ethylbenzenethiol | 2-Ethyl
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
E101792-1g
1
$21.90
5g
E101792-5g
2
$71.90
25g
E101792-25g
1
$234.90
100g
E101792-100g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$742.90
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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal 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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

2-Ethylbenzenethiol is a strong mixed type inhibitor of ethylbenzene dehydrogenase

Specifications

Synonyms
2-Ethylbenzenethiol, technical grade, 90% | 2-ethylbenzene-1-thiol | 2-ETHYLBENZOTHIOL | AI3-15524 | 2-ethyl thiophenol | MFCD00010022 | W-106168 | 2-ethyl mercaptophenol | 2-Ethylthiophenol | 2-ethylthio-phenol | Q27263484 | o-Ethylbenzenethiol | 2-Ethyl
Specifications & Purity
≥95%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥95%
Names and Identifiers
Pubchem Sid528756260
Canonical SmilesCCC1=CC=CC=C1S
IUPAC Name2-ethylbenzenethiol
InChIKeyABROBCBIIWHVNS-UHFFFAOYSA-N
INCHI1S/C8H10S/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
Isomeric SMILES CCC1=CC=CC=C1S
WGK Germany 3
UN Number 2810
Molecular Weight 138.23
Beilstein 6(4)3015
Reaxy-Rn 2553288
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2553288&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassThiophenols
SubclassNot available
Intermediate Tree Nodes Not available
Direct ParentThiophenols
Alternative Parents Benzene and substituted derivatives  Thiols  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Thiophenol - Monocyclic benzene moiety - Arylthiol - Hydrocarbon derivative - Organosulfur compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as thiophenols. These are compounds containing a thiophenol ring, which a phenol derivative obtained by replacing the oxygen atom from the hydroxyl group (attached to the benzene) by a sulfur atom.
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.

9 results found

Lot NumberCertificate TypeDateItem
I2406177Certificate of AnalysisJun 08, 2026 E101792
L2311325Certificate of AnalysisSep 19, 2025 E101792
J2430190Certificate of AnalysisNov 05, 2024 E101792
I2529240Certificate of AnalysisJul 22, 2024 E101792
I2529241Certificate of AnalysisJul 22, 2024 E101792
I2123143Certificate of AnalysisJun 16, 2023 E101792
I2123144Certificate of AnalysisJun 16, 2023 E101792
I2123145Certificate of AnalysisJun 16, 2023 E101792
I2123146Certificate of AnalysisJun 16, 2023 E101792
Chemical and Physical Properties
SensitivityAir sensitive.
Refractive Index1.5682
Flash Point(°F)177.8 °F
Flash Point(°C)81 °C
Boil Point(°C)203-205°C
Molecular Weight138.230 g/mol
XLogP33.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass138.05 Da
Monoisotopic Mass138.05 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity80.600
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. Lizhong He, Tingting Dong, Xiaoyang Hu, Zibao Gan.  (2024)  Visualizing the fluorescence of AgPt NCs by an asymmetrical pseudo-ligand exchange method.  Inorganic Chemistry Frontiers,      [PMID:] [10.1039/D4QI01275E]
Solution Calculators
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