≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 7 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase)
| Pubchem Sid | 504752316 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504752316 |
| Canonical Smiles | CCCCCCC#C |
| IUPAC Name | oct-1-yne |
| InChIKey | UMIPWJGWASORKV-UHFFFAOYSA-N |
| INCHI | 1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3 |
| Isomeric SMILES | CCCCCCC#C |
| WGK Germany | 3 |
| RTECS | RI2655000 |
| UN Number | 3295 |
| Molecular Weight | 110.2 |
| Beilstein | 1734494 |
| Reaxy-Rn | 1734494 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1734494&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Acetylides |
| Class | Not available |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Acetylides |
| Alternative Parents | Terminal alkynes Unsaturated aliphatic hydrocarbons |
| Molecular Framework | Aliphatic acyclic compounds |
| Substituents | Acetylide - Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Unsaturated hydrocarbon - Alkyne - Acyclic acetylene - Acetylene - Hydrocarbon - Aliphatic acyclic compound |
| Description | This compound belongs to the class of organic compounds known as acetylides. These are compounds arising by replacement of one or both hydrogen atoms of acetylene (ethyne) by a metal or other cationic group. E.g. NaC#CH monosodium acetylide. By extension, analogous compounds derived from terminal acetylenes, RC#CH. The class is limited here to derivatives of acetylene where the hydrogen atom is replaced with an element with similar or lower electronegativity that carbon. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 L2205645 | Certificate of Analysis | Jun 09, 2026 | O109633 |
| L2205740 | Certificate of Analysis | Jun 09, 2026 | O109633 |
| L2205741 | Certificate of Analysis | Jun 09, 2026 | O109633 |
| F2525026 | Certificate of Analysis | Jul 07, 2025 | O109633 |
| A2220391 | Certificate of Analysis | Jan 03, 2022 | O109633 |
| A2220474 | Certificate of Analysis | Jan 03, 2022 | O109633 |
| A2220475 | Certificate of Analysis | Jan 03, 2022 | O109633 |
| Solubility | Miscible with alcohol, ether and other organic solvents. Immiscible with water. |
|---|---|
| Refractive Index | 1.415-1.417 |
| Flash Point(°F) | 60.8 °F |
| Flash Point(°C) | 17℃ |
| Boil Point(°C) | 127-128°C |
| Melt Point(°C) | -80°C |
| Molecular Weight | 110.200 g/mol |
| XLogP3 | 3.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 0 |
| Rotatable Bond Count | 4 |
| Exact Mass | 110.11 Da |
| Monoisotopic Mass | 110.11 Da |
| Topological Polar Surface Area | 0.000 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 73.300 |
| 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 |
| 1. Rui Dong, Yunlei Zhang, Hao-Zhe Xu, Luyao Bao, Shuanhong Ma, Xin-Gang Wang, Qiangliang Yu, Meirong Cai, Feng Zhou, Weimin Liu. (2022) Friction induced mechanochemistry: self-adaptive lubrication through in-situ tribo-click system. CHEMICAL ENGINEERING JOURNAL, [PMID:] [10.1016/j.cej.2022.139772] |
| 2. Minkang Li, Lina Zhang, Zhongzheng Zhang, Jialin Shi, Yuefeng Liu, Jiansong Chen, Nannan Sun, Wei Wei. (2021) SiO2-Coated Ag Nanoparticles for Conversion of Terminal Alkynes to Propolic Acids via CO2 Insertion. ACS Applied Nano Materials, [PMID:] [10.1021/acsanm.1c01101] |
| 3. Jialin Shi, Lina Zhang, Nannan Sun, Deng Hu, Qun Shen, Fang Mao, Qiang Gao, Wei Wei. (2019) Facile and Rapid Preparation of Ag@ZIF-8 for Carboxylation of Terminal Alkynes with CO2 in Mild Conditions. ACS Applied Materials & Interfaces, [PMID:31313900] [10.1021/acsami.9b07991] |
| 4. Xinlin Li, Wei Zhang, Yansheng Liu, Rong Li. (2016) Palladium Nanoparticles Immobilized on Magnetic Porous Carbon Derived from ZIF-67 as Efficient Catalysts for the Semihydrogenation of Phenylacetylene under Extremely Mild Conditions. ChemCatChem, 8 (6): (1111-1118). [PMID:] [10.1002/cctc.201501283] |
| 5. Jie Wang, Haibing Wei, Shanzhong Yang, Huagao Fang, Pei Xu, Yunsheng Ding. (2015) Constructing pendent imidazolium-based poly(phenylene oxide)s for anion exchange membranes using a click reaction. RSC Advances, 5 (113): (93415-93422). [PMID:] [10.1039/C5RA17748K] |
| 6. Nan Nie, Qin Tu, Jian-Chun Wang, Fan Chao, Rui Liu, Yanrong Zhang, Wenming Liu, Jinyi Wang. (2012) Synthesis of copolymers using dendronized polyethylene glycol and assay of their blood compatibility and antibacterial adhesion activity. COLLOIDS AND SURFACES B-BIOINTERFACES, [PMID:22609608] [10.1016/j.colsurfb.2012.04.012] |
| 7. Xilun Zhang, Hongliang Liang, Fei Chang. (2024) Magnesium oxide-supported potassium hydride as a transition-metal-free catalyst for the selective hydrogenation of alkynes. JOURNAL OF CATALYSIS, [PMID:] [10.1016/j.jcat.2024.115851] |
