1-Hexanethiol(MCH) - ≥94% , CAS No.111-31-9

CAS: 111-31-9 Cat. No.: H299109 Fórmula: C6H14S Peso molecular: 118.24 Beilstein Registry Number: 1731295 Número EC: 203-857-0
Disponible para pedir
GRADE & PURITY ≥94%
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
Size
USA
Alemania (EU)*
Price
Qty
25ml
H299109-25ml
3 Disponible
17,90US$
100ml
H299109-100ml
3 Disponible
42,90US$
500ml
H299109-500ml
3 Disponible
129,90US$
Enter a quantity for the sizes you want to add.
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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.

📚

Literature proof

Cited in 29 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
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
Especificaciones y pureza
≥94%
Condiciones de almacenamiento de almacenamiento
Room temperature,Argon charged
Enviado en
FedEx DG Service
Pureza
≥94%
Nombres e identificadores
Pubchem Sid504751580
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751580
Sonrisas canónicasCCCCCCS
IUPAC Namehexane-1-thiol
InChIKeyPMBXCGGQNSVESQ-UHFFFAOYSA-N
INCHI1S/C6H14S/c1-2-3-4-5-6-7/h7H,2-6H2,1H3
Isómeros SMILES CCCCCCS
WGK Alemania 3
RTECS MO4550000
Número ONU 1228
Grupo de embalaje II
Peso molecular 118.24
Beilstein 1731295
Reaxy-Rn 1731295
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.

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
ClaseThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Mecanismos de acción
Certificados (CoA, COO, BSE/TSE y tabla de análisis)
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.

5 results found

Lot NumberCertificate TypeFechaArticulo
L2214843Certificate of AnalysisSep 07, 2026 H299109
L2301239Certificate of AnalysisDec 12, 2023 H299109
L2301240Certificate of AnalysisDec 12, 2023 H299109
L2301241Certificate of AnalysisDec 06, 2023 H299109
G1915209Certificate of AnalysisMay 06, 2023 H299109
Propiedades químicas y físicas
SolubilidadDifficult to mix in water.
SensibilidadAir sensitive.
Índice de refracción1.447-1.451
Punto de inflamación (°C)30℃
Punto de ebullición (°C)150-154°C
Punto de fusión (°C)-81--80°C
Peso molecular118.240 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass118.082 Da
Monoisotopic Mass118.082 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.400
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
Preguntas frecuentes y artículos
Citations of This Product
Referencias
1. Jingyi Guo, Mei Zhao, Chen Chen, Fang Wang, Zilin Chen.  (2023)  A laser-induced graphene-based electrochemical immunosensor for nucleic acid methylation detection.  ANALYST,      [PMID:37986634] [10.1039/D3AN01628E]
2. Shiqiang Wang, Huiyun Jiang, Junjie Feng, Yan Jin, Fei An, Liang Zhu, Anshan Xiao.  (2023)  Hierarchical metal-dielectric-metal nanostructures as SERS sensors for sensitive detection of polycyclic aromatic hydrocarbons.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2023.158926]
3. Huan-Xing Zhou, Qing-Qing Sun, Zhong-Qiu Liu, Jie-Wen Duan, Tingjun Fu, Yujing Liu, Anguo Ying.  (2023)  Polyacrylonitrile fiber with light-driven intelligent reversible and switchable wettability as an environmental benign solid base for biodiesel production.  Journal of Cleaner Production,      [PMID:] [10.1016/j.jclepro.2023.137101]
4. Chen Zhe, Li Jili, Meng Lingshen, Li Jianan, Hao Yaming, Jiang Tao, Yang Xuejing, Li Yefei, Liu Zhi-Pan, Gong Ming.  (2023)  Ligand vacancy channels in pillared inorganic-organic hybrids for electrocatalytic organic oxidation with enzyme-like activities.  Nature Communications,  14  (1): (1-11).  [PMID:36864050] [10.1038/s41467-023-36830-4]
5. Zishuo Zhang, Yuanyuan Wang, Ziyin Mei, Yiming Wang, Hui Li, Shaoguang Li, Fan Xia.  (2022)  Incorporating Hydrophobic Moieties into Self-Assembled Monolayers to Enable Electrochemical Aptamer-Based Sensors Deployed Directly in a Complex Matrix.  ACS Sensors,      [PMID:35998663] [10.1021/acssensors.2c00995]
6. Zixiao Wang, Ruihong Liu, Hong-Yuan Chen, Hui Wang.  (2021)  Plasmonic Imaging of Tuning Electron Tunneling Mediated by a Molecular Monolayer.  JACS Au,      [PMID:34723273] [10.1021/jacsau.1c00292]
7. Yang Hongmei, Wang Yafen, Tang Jing, Wang Fang, Chen Zilin.  (2021)  End-labeling-based electrochemical strategy for detection of adenine methylation in nucleic acid by differential pulse voltammetry.  MICROCHIMICA ACTA,  188  (8): (1-10).  [PMID:34254196] [10.1007/s00604-021-04898-8]
8. Yang Hongmei, Hu Peiyu, Tang Jing, Cheng Ying, Wang Fang, Chen Zilin.  (2021)  A bifunctional electrochemical aptasensor based on AuNPs-coated ERGO nanosheets for sensitive detection of adenosine and thrombin.  JOURNAL OF SOLID STATE ELECTROCHEMISTRY,  25  (4): (1383-1391).  [PMID:] [10.1007/s10008-021-04916-y]
9. Can-Peng Li, Feng Liu, Jing Zheng, Hui Zhao.  (2021)  A novel electrochemical assay for chymosin determination using a label-free peptide as a substrate.  JOURNAL OF DAIRY SCIENCE,      [PMID:33455776] [10.3168/jds.2020-19282]
10. Haoran Ning, Yan Zeng, Shouwei Zuo, Stephen V. Kershaw, Yi Hou, Yingying Li, Xiaona Li, Jing Zhang, Yuanping Yi, Lihong Jing, Jian Li, Mingyuan Gao.  (2021)  Two-Dimensional and Subnanometer-Thin Quasi-Copper-Sulfide Semiconductor Formed upon Copper–Copper Bonding.  ACS Nano,      [PMID:33404214] [10.1021/acsnano.0c07388]
11. Zhenya Yu, Xue Chen, Ying Cheng, Hongmei Yang, Fang Wang, Zilin Chen.  (2020)  Novel label-free electrochemical strategy for sensitive determination of ten-eleven translocation protein 1.  ANALYTICA CHIMICA ACTA,      [PMID:33461709] [10.1016/j.aca.2020.11.014]
12. Ke Jiang, Jirong Wang, Cai Zuo, Shaoqiao Li, Sibo Li, Dan He, Haiyan Peng, Xiaolin Xie, Rinaldo Poli, Zhigang Xue.  (2020)  Facile Fabrication of Polymer Electrolytes via Lithium Salt-Accelerated Thiol-Michael Addition for Lithium-Ion Batteries.  MACROMOLECULES,      [PMID:] [10.1021/acs.macromol.0c01302]
13. Ya Li, Lina Hou, Zhiling Liu, Wenbo Lu, Man Zhao, He Xiao, Tianjun Hu, Zhanfeng Zheng, Jianfeng Jia, Haishun Wu.  (2020)  A Sensitive Electrochemical MUC1 Sensing Platform Based on Electroactive Cu-MOFs Decorated by AuPt Nanoparticles.  JOURNAL OF THE ELECTROCHEMICAL SOCIETY,  167  (8): (087502).  [PMID:] [10.1149/1945-7111/ab88b9]
14. Yali Liu, Pengfei Zhang, Junmin Liu, Tao Wang, Qisheng Huo, Li Yang, Lei Sun, Zhen-An Qiao, Sheng Dai.  (2018)  Gold Cluster–CeO2 Nanostructured Hybrid Architectures as Catalysts for Selective Oxidation of Inert Hydrocarbons.  CHEMISTRY OF MATERIALS,      [PMID:] [10.1021/acs.chemmater.8b03624]
15. Yanli Zhou, Congming Li, Xiaoqiao Li, Xu Zhu, Baoxian Ye, Maotian Xu.  (2018)  A sensitive aptasensor for the detection of β-amyloid oligomers based on metal–organic frameworks as electrochemical signal probes.  Analytical Methods,  10  (36): (4430-4437).  [PMID:] [10.1039/C8AY00736E]
16. Jianlin Zhuang, Jinmao You, Shijuan Zhang, Zhiwei Sun, Zhongyin Ji, Jiamin Liu, Yanxin Yu.  (2018)  Determination of thiols by gas purge microsyringe extraction coupled with chemical derivatization by high performance liquid chromatography-fluorescence detection with mass spectrometry identification.  JOURNAL OF LIQUID CHROMATOGRAPHY & RELATED TECHNOLOGIES,      [PMID:] [10.1080/10826076.2018.1502671]
17. Hongqiang Li, Yong Zhong, Wenjian Wu, Lin Zhang, Xuejun Lai, Xingrong Zeng.  (2017)  Phenolic antioxidants based on calixarene: Synthesis, structural characterization, and antioxidative properties in natural rubber.  JOURNAL OF APPLIED POLYMER SCIENCE,  134  (31): (45144).  [PMID:] [10.1002/app.45144]
18. Lanlan Xiao, Min Zhang, Zhen Liu, Weiwei Bian, Xiaoli Zhang, Jinhua Zhan.  (2017)  Hydrophobic silver nanowire membrane for swabbing extraction and in situ SERS detection of polycyclic aromatic hydrocarbons on toys.  Analytical Methods,  (11): (1816-1824).  [PMID:] [10.1039/C7AY00489C]
19. Ruixin Xu, Xiaoyuan Guan, Minghui He, Jianwen Yang.  (2016)  Phototriggered base proliferation: a powerful 365 nm LED photoclick tool for nucleophile-initiated thiol-Michael addition reaction.  RSC Advances,  (2): (914-918).  [PMID:] [10.1039/C6RA25906E]
20. Shaojie Jia, Dan Li, Essy Kouadio Fodjo, Hu Xu, Wei Deng, Yue Wu, Yuhong Wang.  (2016)  Simultaneous preconcentration and ultrasensitive on-site SERS detection of polycyclic aromatic hydrocarbons in seawater using hexanethiol-modified silver decorated graphene nanomaterials.  Analytical Methods,  (42): (7587-7596).  [PMID:] [10.1039/C6AY02293F]
21. Fenglei Gao, Lili Du, Yu Zhang, Fuyi Zhou, Daoquan Tang.  (2016)  A sensitive sandwich-type electrochemical aptasensor for thrombin detection based on platinum nanoparticles decorated carbon nanocages as signal labels.  BIOSENSORS & BIOELECTRONICS,      [PMID:27376191] [10.1016/j.bios.2016.06.055]
22. Hai-Xin Gu, Kai Hu, Da-Wei Li, Yi-Tao Long.  (2016)  SERS detection of polycyclic aromatic hydrocarbons using a bare gold nanoparticles coupled film system.  ANALYST,  141  (14): (4359-4365).  [PMID:27169487] [10.1039/C6AN00319B]
23. Zhongdan Yan, Ning Gan, Huairong Zhang, De Wang, Li Qiao, Yuting Cao, Tianhua Li, Futao Hu.  (2015)  A sandwich-hybridization assay for simultaneous determination of HIV and tuberculosis DNA targets based on signal amplification by quantum dots-PowerVision™ polymer coding nanotracers.  BIOSENSORS & BIOELECTRONICS,      [PMID:25911447] [10.1016/j.bios.2015.04.010]
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