Basic Description

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 Temp	Room temperature,Argon charged,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Thiols
    - Subclass Alkylthiols

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
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. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	504751602
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504751602
IUPAC Name	octane-1-thiol
INCHI	InChI=1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
InChIKey	KZCOBXFFBQJQHH-UHFFFAOYSA-N
Smiles	CCCCCCCCS
Isomeric SMILES	CCCCCCCCS
WGK Germany	3
UN Number	1228
Packing Group	II
Molecular Weight	146.29
Beilstein	1733101
Reaxy-Rn	1733101
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1733101&ln=

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.

25 results found

Lot Number	Certificate Type	Date	Item
E2526282	Certificate of Analysis	May 19, 2025	O105587
E2526298	Certificate of Analysis	May 19, 2025	O105587
E2526287	Certificate of Analysis	May 19, 2025	O105587
B2108040	Certificate of Analysis	Dec 17, 2024	O105587
B2108047	Certificate of Analysis	Dec 17, 2024	O105587
D2501026	Certificate of Analysis	Aug 22, 2024	O105587
H2429072	Certificate of Analysis	Aug 22, 2024	O105587
H2429073	Certificate of Analysis	Aug 22, 2024	O105587
H2429074	Certificate of Analysis	Aug 22, 2024	O105587
G2402450	Certificate of Analysis	Jun 26, 2024	O105587
G2402449	Certificate of Analysis	Jun 26, 2024	O105587
G2402453	Certificate of Analysis	Jun 26, 2024	O105587
H2426005	Certificate of Analysis	May 07, 2024	O105587
H2426006	Certificate of Analysis	May 07, 2024	O105587
H2426007	Certificate of Analysis	May 07, 2024	O105587
F2008099	Certificate of Analysis	Mar 06, 2024	O105587
A2410029	Certificate of Analysis	Jan 16, 2024	O105587
D1912078	Certificate of Analysis	Feb 06, 2023	O105587
J2222462	Certificate of Analysis	Oct 14, 2022	O105587
J2222461	Certificate of Analysis	Oct 14, 2022	O105587
J2222456	Certificate of Analysis	Oct 14, 2022	O105587
J2222460	Certificate of Analysis	Oct 14, 2022	O105587
J2222463	Certificate of Analysis	Oct 14, 2022	O105587
K1822058	Certificate of Analysis	Sep 16, 2022	O105587
A2220017	Certificate of Analysis	Jan 26, 2022	O105587

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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 Å²
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

Alternative Products

Citations of This Product

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1. Xinlan Hu, Yanyun Li, Hongfeng Chen, Jue Cheng, Qingsong Lian. (2024) Self-assembly strengthening-toughening epoxy/Graphene composites through intermolecular π-π interactions with ultralow Graphene content. POLYMER, 291 (126611).
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3. Qingyuan Cheng, Liman Li, Mingxia Yu. (2023) Doping Ag2S quantum dots with Pb yields significantly enhanced in vivo fluorescence imaging in the NIR-II window and comparable toxic effects. NEW JOURNAL OF CHEMISTRY,
4. Panpan Zhang, Qiongqiong Xu, Wenyu Mao, Jiaxing Lv, Haodong Tang, Huadong Tang. (2023) Synthesis of Ultrahigh Molecular Weight Poly(methyl Methacrylate) via the Polymerization of MMA Initiated by the Combination of Palladium Carboxylates with Thiols. Polymers, 15 (11): (2501).
5. Hongjing Wang, Shaojian Jiang, Hongjie Yu, Kai Deng, Ziqiang Wang, Xiaonian Li, You Xu, Liang Wang. (2023) Interface engineering of superhydrophobic octadecanethiol-functionalized hollow mesoporous carbon spheres for alkaline oxygen reduction to hydrogen peroxide. Journal of Materials Chemistry A, 11 (25): (13633-13639).
6. 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, 408 (137101).
7. Qiaocan Huang, Zunxian Yang, Yuanqing Zhou, Yuliang Ye, Bingqing Ye, Zihong Shen, Wenbo Wu, Zongyi Meng, Zhiwei Zeng, Hongyi Hong, Songwei Ye, Zhiming Cheng, Qianting Lan, Jiaxiang Wang, Ye Chen, Hui Zhang, Tailiang Guo, Fushan Li, Yongyi Chen, Zhenzhen Weng. (2023) Effective growth strategy of colloidal quantum dots with low defects and high brightness. OPTICAL MATERIALS, 138 (113628).
8. Haobing Zhao, Hailong Hu, Jinping Zheng, Yuan Qie, Kuibao Yu, Yangbin Zhu, Zhiqi Luo, Lihua Lin, Kaiyu Yang, Tailiang Guo, Fushan Li. (2023) One-Pot Synthesis of InP Multishell Quantum Dots for Narrow-Bandwidth Light-Emitting Devices. ACS Applied Nano Materials, 6 (5): (3797–3802).
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10. Xiao Pengwei, Zhang Zhoufan, Ge Junjun, Deng Yalei, Chen Xufeng, Zhang Jian-Rong, Deng Zhengtao, Kambe Yu, Talapin Dmitri V., Wang Yuanyuan. (2023) Surface passivation of intensely luminescent all-inorganic nanocrystals and their direct optical patterning. Nature Communications, 14 (1): (1-11).
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12. Jiejun Ren, Xiaopeng Zhou, Yuhua Wang. (2023) In situ passivation and thiol-mediated anchoring of perovskite quantum dots in mesoporous covalent-organic frameworks. CHEMICAL ENGINEERING JOURNAL, 454 (140285).
13. Zunbin Duan, He Bian, Lijun Zhu, Daohong Xia. (2022) Efficient removal of thiophenic sulfides from fuel by micro-mesoporous 2-hydroxypropyl-β-cyclodextrin polymers through synergistic effect. SEPARATION AND PURIFICATION TECHNOLOGY, 300 (121884).
14. Xueying Huang, Jie Zeng, Yi Wang. (2022) Comparison of the enhanced attachment and proliferation of the human mesenchymal stem cells on the biomimetic nanopatterned surfaces of zein, silk fibroin, and gelatin. JOURNAL OF BIOMEDICAL MATERIALS RESEARCH PART B-APPLIED BIOMATERIALS, 111 (1): (161-172).
15. Liang-Jun Pan, Jia-Wei Tu, Ling-Ling Yang, Zhi-Quan Tian, Zhi-Ling Zhang. (2022) Photoluminescence Enhancement of NIR-II Emissive Ag2S Quantum Dots via Chloride-Mediated Growth and Passivation. Advanced Optical Materials, 10 (9): (2102806).
16. Yinglin Qiu, Zhipeng Gong, Lei Xu, Qiaocan Huang, Zunxian Yang, Bingqing Ye, Yuliang Ye, Zongyi Meng, Zhiwei Zeng, Zihong Shen, Wenbo Wu, Yuanqing Zhou, Zeqian Hong, Zhiming Cheng, Songwei Ye, Hongyi Hong, Qianting Lan, Fushan Li, Tailiang Guo, Sheng Xu. (2022) Performance Enhancement of Quantum Dot Light-Emitting Diodes via Surface Modification of the Emitting Layer. ACS Applied Nano Materials, 5 (2): (2962–2972).
17. Ting-Tiao Pan, Mei-Ting Guo, Wang Guo, Ping Lu, De-Yu Hu. (2021) A Sensitive SERS Method for Determination of Pymetrozine in Apple and Cabbage Based on an Easily Prepared Substrate. Foods, 10 (8): (1874).
18. Zhen-Ya Liu, An-An Liu, Haohao Fu, Qing-Yuan Cheng, Ming-Yu Zhang, Man-Man Pan, Li-Ping Liu, Meng-Yao Luo, Bo Tang, Wei Zhao, Juan Kong, Xueguang Shao, Dai-Wen Pang. (2021) Breaking through the Size Control Dilemma of Silver Chalcogenide Quantum Dots via Trialkylphosphine-Induced Ripening: Leading to Ag2Te Emitting from 950 to 2100 nm. Journal of the American Chemical Society, 143 (32): (12867–12877).
19. 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, 15 (1): (873–883).
20. Jun Jiang, Ying-Jie Zhang, Xiao-Jiao Zhu, Shu Lu, Lu-Lu Long, Jie-Jie Chen. (2021) Nanostructured metallic FeNi2S4 with reconstruction to generate FeNi-based oxide as a highly-efficient oxygen evolution electrocatalyst. Nano Energy, 81 (105619).
21. Shu Lu, Jun Jiang, Hai Yang, Ying-Jie Zhang, Dan-Ni Pei, Jie-Jie Chen, Yan Yu. (2020) Phase Engineering of Iron–Cobalt Sulfides for Zn–Air and Na–Ion Batteries. ACS Nano, 14 (8): (10438–10451).
22. Jing-Jing Zhang, Yi Lin, Hui Zhou, He He, Jiao-Jiao Ma, Meng-Yao Luo, Zhi-Ling Zhang, Dai-Wen Pang. (2019) Cell Membrane-Camouflaged NIR II Fluorescent Ag2Te Quantum Dots-Based Nanobioprobes for Enhanced In Vivo Homotypic Tumor Imaging. Advanced Healthcare Materials, 8 (14): (1900341).
23. Minsheng Li, Xiaoyun Lei, Yan Huang, Yuan Guo, Bingyu Zhang, Fengxiang Tang, Xiaoping Wu. (2019) Ternary thiol-ene photopolymerization for facile preparation of ionic liquid-functionalized hybrid monolithic columns based on polyhedral oligomeric silsesquioxanes. JOURNAL OF CHROMATOGRAPHY A, 1597 (167).
24. Zhongmin Yin, Shanyong Chen, Youwei Guan, Qinqin Ran, Qingsong Zhang, Xingwu Yan, Rong Jin, Hong Yu, Lu Li, Junsheng Yu. (2019) Copper Nanowire Dispersion through an Electrostatic Dispersion Mechanism for High-Performance Flexible Transparent Conducting Films and Optoelectronic Devices. ACS Applied Materials & Interfaces, 11 (5): (5264–5275).
25. Jialun Chen, Panmiao Liu, Xin Du, Zhuoying Xie. (2018) Clickable Colloidal Photonic Crystals for Structural Color Pattern. LANGMUIR, 34 (44): (13219–13224).
26. 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,
27. Tang Shilin, He Chuansheng, Li Dong, Cai Wenhao, Fan Louzhen, Li Yunchao. (2018) Precursor reactivity differentiation for single-step preparation of Ag2Se@Ag2S core–shell nanocrystals with distinct absorption and emission properties enabling sensitive near-infrared photodetection. JOURNAL OF MATERIALS SCIENCE, 53 (16): (11355-11366).
28. Longfei Ruan, Jin Lin, Wei Shen, Zhengtao Deng. (2018) Ligand-mediated synthesis of compositionally related cesium lead halide CsPb2X5 nanowires with improved stability. Nanoscale, 10 (16): (7658-7665).
29. Longfei Ruan, Wei Shen, Aifei Wang, Qingwen Zhou, Huigang Zhang, Zhengtao Deng. (2017) Stable and conductive lead halide perovskites facilitated by X-type ligands. Nanoscale, 9 (21): (7252-7259).
30. Jun Jiang, Shu Lu, Han Gao, Xing Zhang, Han-Qing Yu. (2016) Ternary FeNiS2 ultrathin nanosheets as an electrocatalyst for both oxygen evolution and reduction reactions. Nano Energy, 27 (526).
31. Guijuan Wei, Zhaojie Wang, Xixia Zhao, Juan Feng, Shutao Wang, Jun Zhang, Changhua An. (2014) A facile approach to fabricate superhydrophobic and corrosion resistant surface. Materials Research Express, 2 (1): (15501).
32. Xu Li, Aiwei Tang, Li Guan, Haihang Ye, Yanbing Hou, Guoyi Dong, Zhiping Yang, Feng Teng. (2014) Effects of alkanethiols chain length on the synthesis of Cu2−xS nanocrystals: phase, morphology, plasmonic properties and electrical conductivity. RSC Advances, 4 (97): (54547-54553).
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34. Ting Yang, Zheng Chen, Ziqing Wang, Jiayuan Yu, Changjiu Xia, Hongxia Liu, Lei Liu, Xinxin Peng, Yibin Luo, Xingtian Shu. (2024) Aerobic Thiols Oxidative Coupling to Disulfides over Robust CoOx Nanoclusters Confined within Hierarchical Silicalite-1 Zeolite. INORGANIC CHEMISTRY, 63 (45): (21577-21589).
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43. Qiaocan Huang, Zunxian Yang, Yuliang Ye, Zongyi Meng, Zhiwei Zeng, Hongyi Hong, Songwei Ye, Zhiming Cheng, Qianting Lan, Bingqing Ye, Yuanqing Zhou, Zihong Shen, Wenbo Wu, Jiaxiang Wang, Ye Chen, Hui Zhang, Tailiang Guo, Fushan Li, Yongyi Chen, Zhenzhen Weng. (2024) Physically Controlled Nucleation for Tunable Quantum Dots and Interface Defect Modification in Light-Emitting Diodes. ACS Applied Nano Materials, 7 (2): (1896-1906).
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SKU	Size	Availability	Price
O105587-25ml	25ml	3	$18.90
O105587-100ml	100ml	3	$25.90
O105587-500ml	500ml	5	$45.90

1-Octanethiol - 98%, high purity , CAS No.111-88-6