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

CAS: 111-88-6 Cat. No.: O105587 Molecular Weight: 146.29 Beilstein Registry Number: 1733101 EC Number: 203-918-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
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
Size
Status
Price
Qty
25ml
O105587-25ml
3
$9.90
100ml
O105587-100ml
3
$19.90
500ml
O105587-500ml
5
$45.90
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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 67 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
Purity
≥98%
Names and Identifiers
Pubchem Sid504751602
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504751602
Canonical SmilesCCCCCCCCS
IUPAC Nameoctane-1-thiol
InChIKeyKZCOBXFFBQJQHH-UHFFFAOYSA-N
INCHI1S/C8H18S/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3
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=

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganosulfur compounds
ClassThiols
SubclassAlkylthiols
Intermediate Tree Nodes Not available
Direct ParentAlkylthiols
Alternative Parents Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Alkylthiol - Hydrocarbon derivative - Aliphatic acyclic compound
DescriptionThis 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
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.

33 results found

Lot NumberCertificate TypeDateItem
J2222461Certificate of AnalysisJul 29, 2026 O105587
J2222456Certificate of AnalysisJul 29, 2026 O105587
G2608172Certificate of AnalysisMay 26, 2026 O105587
G2608171Certificate of AnalysisMay 26, 2026 O105587
G2608170Certificate of AnalysisMay 26, 2026 O105587
G2608169Certificate of AnalysisMay 26, 2026 O105587
K2511216Certificate of AnalysisOct 31, 2025 O105587
K2511215Certificate of AnalysisOct 31, 2025 O105587
K2511214Certificate of AnalysisOct 31, 2025 O105587
K2511213Certificate of AnalysisOct 31, 2025 O105587
E2526298Certificate of AnalysisMay 19, 2025 O105587
E2526287Certificate of AnalysisMay 19, 2025 O105587
E2526282Certificate of AnalysisMay 19, 2025 O105587
B2108040Certificate of AnalysisDec 17, 2024 O105587
B2108047Certificate of AnalysisDec 17, 2024 O105587
D2501026Certificate of AnalysisAug 22, 2024 O105587
H2429074Certificate of AnalysisAug 22, 2024 O105587
H2429073Certificate of AnalysisAug 22, 2024 O105587
H2429072Certificate of AnalysisAug 22, 2024 O105587
G2402450Certificate of AnalysisJun 26, 2024 O105587
G2402453Certificate of AnalysisJun 26, 2024 O105587
G2402449Certificate of AnalysisJun 26, 2024 O105587
H2426007Certificate of AnalysisMay 07, 2024 O105587
H2426006Certificate of AnalysisMay 07, 2024 O105587
H2426005Certificate of AnalysisMay 07, 2024 O105587
F2008099Certificate of AnalysisMar 06, 2024 O105587
A2410029Certificate of AnalysisJan 16, 2024 O105587
D1912078Certificate of AnalysisFeb 06, 2023 O105587
J2222460Certificate of AnalysisOct 14, 2022 O105587
J2222462Certificate of AnalysisOct 14, 2022 O105587
J2222463Certificate of AnalysisOct 14, 2022 O105587
K1822058Certificate of AnalysisSep 16, 2022 O105587
A2220017Certificate of AnalysisJan 26, 2022 O105587

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Chemical and Physical Properties
SolubilitySoluble in alcohol, benzene, ether, acetone
SensitivityMoisture sensitive;Air sensitive
Refractive Index1.453
Flash Point(°C)68℃
Boil Point(°C)197-200°C
Melt Point(°C)-49°C
Molecular Weight146.300 g/mol
XLogP34.400
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count6
Exact Mass146.113 Da
Monoisotopic Mass146.113 Da
Topological Polar Surface Area1.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity43.800
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
Documents & Articles
Citations of This Product
References
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53. Xing Tang, Yadong Jiang, Zaihua Duan, Yichen Bu, Wenxin Zeng, Jingwen Yang, Zhen Yuan, Huiling Tai.  (2025)  Surface ligand engineering of Ag2Te colloidal quantum dots for selfpowered shortwave infrared photodetector.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D5TC02959G]
54. Jianpu Lin, Shengjie Zhang, Lingfeng Du, Baiquan Zhang, Xiongtu Zhou, Yongai Zhang, Chaoxing Wu.  (2024)  Improved InP/ZnSe/ZnSeS/ZnS quantum dots for single-terminal carrier-injection light-emitting devices.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2024.116508]
55. Wenda Zhang, Xijian Duan, Lei Chen, Kai Wang, Yujie Song, Weigao Wang, Xiao Wei Sun.  (2025)  Synthesis of Deep Blue InP Quantum Dots via HF Etching for Light-Emitting Diodes.  ACS Applied Electronic Materials,      [PMID:] [10.1021/acsaelm.5c00503]
56. Wei Wang, Shizheng Zhang, Sitao Huo, Fan Cao, Sheng Wang, Qianqian Wu, Rui Li, Xuyong Yang.  (2025)  Controllable Nucleation and Growth of Blue InP Quantum Dots Enable Efficient and Bright Light-Emitting Diodes.  Advanced Optical Materials,      [PMID:] [10.1002/adom.202500294]
57. Xue-Hui Shi, Zhendong Zhu, Changlin Shen, Ya Li, Zhuang Qian, Yonghao Wu, Huifeng Chen, Qing-Qing Ye, Chaojie Hu, Yifan Song, Lei Wang, Zhimou Yang, Wenjie Ren.  (2025)  A facile and universal ligand exchange strategy enables sequential surface functionalization of quantum dots for high quality in vivo imaging.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.169650]
58. Xuting Chen, Linqi Chen, Yuan Jiang, Yijing Wang, Hongbing Li, Jingzhou Li, Xinjie Li, Zeyi Wang, Hongxing Dong, Long Zhang.  (2025)  Highly Efficient and Stable CdSe/CdS Quantum Dot–Polyurethane Acrylate Composite Fluorescent Antennas for Optical Wireless Communication.  Laser & Photonics Reviews,      [PMID:] [10.1002/lpor.202501534]
59. Kai-Zheng Song, Shan-Ze Li, Feng-Lei Jiang.  (2025)  Bright Red InP Quantum Dots via Mild Surface Etching with LiPF6.  ACS Applied Optical Materials,      [PMID:] [10.1021/acsaom.5c00378]
60. Zhen-Ya Liu, Wei Zhao, Li-Ming Chen, Fei Ding, An-An Liu, Dai-Wen Pang.  (2025)  Regulation of Monomer Allocation and Surface Passivation via Dual Ligands for the Synthesis of NIR-IIc Ag2Se Quantum Dots.  ACS Applied Materials & Interfaces,      [PMID:41103081] [10.1021/acsami.5c16269]
61. Zhezhe Wang, Liqing Yang, Shaorui Yuan, Bo Yao, Shupeng Cen, Libing Tang, Yude Wang.  (2025)  HgTe colloidal quantum dots based on diphenylphosphine precursor activation for infrared photodetectors.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.171124]
62. Yuting Wu, Hancheng Zhu, Zhigao Huang, Hao Zhang, Yinjuan Ren, Hua Shen, Yiming Wu, Yue Wang.  (2025)  Unlocking megawatt-peak-power laser emission with colloidal quantum dots.  Science Advances,  11  (50):   [PMID:41370393] [10.1126/sciadv.aea8326]
63. Yueling Lai, Jingying Luo, Xianglong Zhao, Hao Chen, Qianqian Song, Kanghui Zheng, Xin Tong, Ruilin Wang, Yufeng Zhou.  (2025)  Plasmon-enhanced colloidal silver telluride quantum dots for boosted near-infrared photodetection performance.  Journal of Materials Chemistry A,      [PMID:] [10.1039/D5TA08291A]
64. Xudong Jiang, Jie Li, Zunxian Yang, Yue Chen, Luxi Yuan, Wenxin Tang, Yuting Bai, Jiajie Hong, Benfang Liu, Zheyu Zhou, Runsen Yu, Wenxin Zhang, Shangwei Ye, Zhiqian Wei, Zhezhou Fang, Jinzhu Gao, Zhiyu Yuan, Shunchang Cheng, Yuhan Meng, Zhiqi Lin, Tailiang Guo, Zhenzhen Weng, Yongyi Chen.  (2026)  High-resolution array devices via insulating pattern definition layer transferred by UV-adhesive stamp.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D5TC04141D]
65. Yihan Song, Youming Chen, Yiwen Li, Qian Chen, Andong Zhong, Haibo Zhu, Yihong Tang, Fan FANG, Junjie Hao, Haodong Tang, Jiaji Cheng, Yong Xia, Lin Song, Wei Chen.  (2026)  Ligand-Directed Growth Control for High-Performance Short-Wave Infrared Quantum Dot Photodetectors.  Journal of Materials Chemistry C,      [PMID:] [10.1039/D5TC03823E]
66. Shuai Zhang, Kezhou Chen, Lin Xi, QingXin Luan, Jiayi Liu, Tiegen Liu, Lili Hou.  (2026)  Optically Switchable Full-Color Quantum Dots via Diarylethene Photoswitches for Smart Display and Security.  SmartMat,  (1): (e70064).  [PMID:] [10.1002/smm2.70064]
67. Wang Zhaolong, Zhu Jingyi, Wu Kaifeng.  (2026)  Proton shuttle-assisted triplet energy transfer.  NATURE MATERIALS,      [PMID:] [10.1038/s41563-026-02535-4]
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