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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Octanethiol - ≥98% , CAS No.111-88-6
Synonyms
1-octylmercaptan | O0025 | Octanethiol | Octylmercaptan | NSC-41903 | AI3-06557 | DTXSID4026894 | CAS-111-88-6 | NCGC00259348-01 | n-Octylmercaptan | 1-OCTANETHIOL [HSDB] | 1-Octyl mercaptan | Octane-1-thiol | DTXCID506894 | n-Octanethiol | 1-Octylthiol |
Storage
Room temperature,Argon charged,Desiccated
Shipped In
FedEx DG Service
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Why this grade ≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged,Desiccated 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 68 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
1-octylmercaptan | O0025 | Octanethiol | Octylmercaptan | NSC-41903 | AI3-06557 | DTXSID4026894 | CAS-111-88-6 | NCGC00259348-01 | n-Octylmercaptan | 1-OCTANETHIOL [HSDB] | 1-Octyl mercaptan | Octane-1-thiol | DTXCID506894 | n-Octanethiol | 1-Octylthiol |
Specifications & Purity
≥98%
Storage
Room temperature,Argon charged,Desiccated
Shipped In
FedEx DG Service
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751602
Canonical Smiles
CCCCCCCCS
InChIKey
KZCOBXFFBQJQHH-UHFFFAOYSA-N
INCHI
1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
Isomeric SMILES
CCCCCCCCS
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733101&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
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✅ 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 Kingdom Organic compounds Superclass Organosulfur compounds Class Thiols Subclass Alkylthiols Intermediate Tree Nodes Not available Direct Parent Alkylthiols Alternative Parents Hydrocarbon derivatives Molecular Framework Aliphatic acyclic compounds Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound Description This 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 Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Soluble in alcohol, benzene, ether, acetone Sensitivity Moisture sensitive；Air sensitive Refractive Index 1.453 Flash Point(°C) 68℃ Boil Point(°C) 197-200°C Melt Point(°C) -49°C Molecular Weight 146.300 g/mol XLogP3 4.400 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 6 Exact Mass 146.113 Da Monoisotopic Mass 146.113 Da Topological Polar Surface Area 1.000 Ų Heavy Atom Count 9 Formal Charge 0 Complexity 43.800 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
Documents & Articles Citations of This Product Solution Calculators Molarity Calculator Determine the necessary mass, volume, or concentration for preparing a solution.
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Reconstitution Calculator Reviews Related Products 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanethiol - ≥96.5%(GC) , CAS No.34451-26-8
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