1-Octyn-3-ol - ≥97% , CAS No.818-72-4

CAS: 818-72-4 Cat. No.: O113758 Molecular Weight: 126.2 Beilstein Registry Number: 1098642 EC Number: 212-455-4
AVAILABLE TO ORDER
GRADE & PURITY ≥97%
Synonyms
3-hydroxyoct-1-yne | AKOS009157934 | D91830 | 3-01-00-01996 (Beilstein Handbook Reference) | NCGC00260419-01 | rac-1-octyn-3-ol | (1)-Oct-1-yn-3-ol | SY029413 | 1-OCTYN-3-OL | UNII-DG52FEN1K1 | Oct-1-yne-3-ol | SY029457 | DG52FEN1K1 | SB44879 | AMY17779 |
Storage
Argon charged,Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
O113758-1ml
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$9.90
5ml
O113758-5ml
3
$18.90
25ml
O113758-25ml
5
$68.90
100ml
O113758-100ml
3
$219.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Argon charged,Room temperature Ships Normal 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 12 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product Description
1-Octyn-3-ol is a racemic intermediate formed during the synthesis of enantiomerically pure secondary alcohols with sterically similar substituents.
Product Application
1-Octyn-3-ol was used in the synthesis of synthetic tricolorin A, a novel tetrasaccharide macrolactone that is a natural herbicide†.

Specifications

Synonyms
3-hydroxyoct-1-yne | AKOS009157934 | D91830 | 3-01-00-01996 (Beilstein Handbook Reference) | NCGC00260419-01 | rac-1-octyn-3-ol | (1)-Oct-1-yn-3-ol | SY029413 | 1-OCTYN-3-OL | UNII-DG52FEN1K1 | Oct-1-yne-3-ol | SY029457 | DG52FEN1K1 | SB44879 | AMY17779 |
Specifications & Purity
≥97%
Storage
Argon charged, Room temperature
Shipped In
Normal
Purity
≥97%
Names and Identifiers
Pubchem Sid504752428
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752428
Canonical SmilesCCCCCC(C#C)O
IUPAC Nameoct-1-yn-3-ol
InChIKeyVUGRNZHKYVHZSN-UHFFFAOYSA-N
INCHI1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3
Isomeric SMILES CCCCCC(C#C)O
WGK Germany 3
RTECS RI2737000
Molecular Weight 126.2
Beilstein 1098642
Reaxy-Rn 1098642
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098642&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
SuperclassLipids and lipid-like molecules
ClassFatty Acyls
SubclassFatty alcohols
Intermediate Tree Nodes Not available
Direct ParentFatty alcohols
Alternative Parents Secondary alcohols  Acetylides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Fatty alcohol - Secondary alcohol - Acetylide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as fatty alcohols. These are aliphatic alcohols consisting of a chain of a least six carbon atoms.
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.

4 results found

Lot NumberCertificate TypeDateItem
G2216465Certificate of AnalysisJan 19, 2026 O113758
G2216492Certificate of AnalysisJan 19, 2026 O113758
G2216644Certificate of AnalysisJan 19, 2026 O113758
C2209221Certificate of AnalysisSep 08, 2025 O113758
Chemical and Physical Properties
SolubilitySoluble in water.
SensitivityAir Sensitive
Refractive Index1.4405-1.4425
Flash Point(°F)145.4 °F
Flash Point(°C)63℃
Boil Point(°C)83°C
Melt Point(°C)-60°C
Molecular Weight126.200 g/mol
XLogP32.000
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass126.104 Da
Monoisotopic Mass126.104 Da
Topological Polar Surface Area20.200 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.400
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Zaichao Li, Yuang Zhang, Fantao Meng, Lu Liu, Ronghui Han, Shufen Zhang, Bingtao Tang.  (2023)  Flexible phase change materials for low temperature thermal management in lithium-ion batteries.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2023.109413]
2. Ruiqin Zhu, Hang Mei, Huajing Liu, Changbao Hong, Xiantao Shen, Chuixiu Huang.  (2021)  Successive liquid-phase microextraction of acidic and basic analytes.  ANALYTICA CHIMICA ACTA,      [PMID:35057942] [10.1016/j.aca.2021.339335]
3. Nini Li, Xiaohong Ji, Bulei Wang, Yanglin Guo, Changhao Wang, Yashao Chen.  (2021)  Functional composite hydrogels entrapping polydopamine hollow nanoparticles for highly efficient resistance of skin penetration and photoprotection.  Materials Science & Engineering C-Materials for Biological Applications,      [PMID:34474896] [10.1016/j.msec.2021.112346]
4. Rui Wang, Xuexue Wang, Yijing Zhan, Zheng Xu, Zongqi Xu, Xiaohai Feng, Sha Li, Hong Xu.  (2019)  A Dual Network Hydrogel Sunscreen Based on Poly-γ-glutamic Acid/Tannic Acid Demonstrates Excellent Anti-UV, Self-Recovery, and Skin-Integration Capacities.  ACS Applied Materials & Interfaces,      [PMID:31544451] [10.1021/acsami.9b14538]
5. Hongxin Zhang, Xuegang Li, Xue Zhou, Yanan Zhang, Yong Zhao.  (2024)  A lipase-conjugated carbon nanotube fiber-optic SPR sensor for sensitive and specific detection of tributyrin.  Nanoscale,  16  (6): (3113-3120).  [PMID:38258424] [10.1039/D3NR05129C]
6. Zaichao Li, Yuang Zhang, Feng Cao, Chuanxin Yang, Xuan Wang, Shufen Zhang, Bingtao Tang.  (2024)  Poly(vinyl alcohol)-Based Composite Aerogel Phase-Change Material for Thermal Management.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.4c00587]
7. Zaichao Li, Yuang Zhang, Xuan Wang, Shufen Zhang, Bingtao Tang.  (2024)  Thermally conductive enhanced flexible composite phase change materials for thermal management.  Journal of Energy Storage,      [PMID:] [10.1016/j.est.2024.111133]
8. Yiyang Li, Yannan Qin, Yi Liu, Bo Yuan, Zhirong Zhao, Jingyuan Wang, Yanhong Ji, Shuai Mao, Feng Ye, Chengcheng Liu, Chuanbin Mao.  (2025)  Transfersome enhances nail penetration of antifungal drug and photosensitizer for chemo-photodynamic therapy of onychomycosis in a novel rat model.  JOURNAL OF CONTROLLED RELEASE,      [PMID:40651598] [10.1016/j.jconrel.2025.114029]
9. Haoyue Wang, Shanshan Li, Tianliang Dai, Yang Yang, Lina Wang, Juming Yao, Guocheng Zhu, Baochun Guo, Parpiev Khabibulla, Ming Zhang.  (2025)  Multi-Structured Nanofibers for Advanced Multifunctional Protective Fabrics via Coaxial Electrospinning.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.57774]
10. Jiajun Tang, Haoyue Wang, Yang Yang, Song Li, Shan Shan Li, Juming Yao, Guocheng Zhu, Baochun Guo, Parpiev Khabibulla, Ming Zhang.  (2025)  Electrospun Multifunctional Fibrous Membranes With Temperature-Controlled, Electromagnetic Shielding, and Waterproof Properties.  JOURNAL OF APPLIED POLYMER SCIENCE,      [PMID:] [10.1002/app.70007]
11. Like Li, Yi Li, Guohong Zou, Lu Cai, Maoqing Chen, Xiaoming Chen, Bo Han, Ya-nan Zhang, Yong Zhao.  (2025)  High-sensitivity and high-specificity optical fiber SPR doxorubicin sensor enabled by Ti3C2 MXene sensitization.  TALANTA,      [PMID:41330132] [10.1016/j.talanta.2025.129156]
12. Kai-Yang Fan, Shi-Qi Niu, Tian Zhang, Jun Cao, Li-Hong Ye.  (2026)  Efficient capillary electrophoretic analysis of anthraquinones and phenolic acids in functional foods using a novel deep eutectic solvent–in–deep eutectic solvent microemulsion.  FOOD CHEMISTRY,      [PMID:41621319] [10.1016/j.foodchem.2026.148054]
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