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340,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items 1-Hexanethiol(MCH) - ≥94% , CAS No.111-31-9
Synonyms
DTXSID0051574 | DTXCID4030126 | FS-4087 | Mercaptan C6 | n-Hexylthiol | EINECS 203-857-0 | NSC99106 | AKOS015897424 | USAF EK-4628 | FT-0652492 | Hexane-1-thiol | SCHEMBL22331 | EN300-267737 | CAS-111-31-9 | A802340 | J-504659 | 1-Hexyl mercaptan | Hexylt
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
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Why this grade ≥94% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature,Argon charged 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 31 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
DTXSID0051574 | DTXCID4030126 | FS-4087 | Mercaptan C6 | n-Hexylthiol | EINECS 203-857-0 | NSC99106 | AKOS015897424 | USAF EK-4628 | FT-0652492 | Hexane-1-thiol | SCHEMBL22331 | EN300-267737 | CAS-111-31-9 | A802340 | J-504659 | 1-Hexyl mercaptan | Hexylt
Specifications & Purity
≥94%
Storage
Room temperature,Argon charged
Shipped In
FedEx DG Service
Names and Identifiers Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504751580
InChIKey
PMBXCGGQNSVESQ-UHFFFAOYSA-N
INCHI
1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731295&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 Mechanisms of Action Certificates (CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solubility Difficult to mix in water. Sensitivity Air sensitive. x_refractive_index 1.447-1.451 x_flash_point_drop_centigrade 30℃ x_boil_point_char 150-154°C x_melt_point_char -81--80°C Molecular Weight 118.240 g/mol XLogP3 3.300 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 1 Rotatable Bond Count 4 Exact Mass 118.082 Da Monoisotopic Mass 118.082 Da Topological Polar Surface Area 1.000 Ų Heavy Atom Count 7 Formal Charge 0 Complexity 27.400 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
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