4-Octyne - ≥99% , CAS No.1942-45-6

CAS: 1942-45-6 Cat. No.: O106927 Molecular Weight: 110.2 Beilstein Registry Number: 1732138 EC Number: 217-730-2
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
Dipropylacetylene | IJI0Q2V1Z6 | O0127 | DTXSID6074338 | FT-0619334 | MFCD00009471 | EINECS 217-730-2 | 4-Octyne, 99% | 1,2-Dipropylacetylene | J-802146 | AKOS015903071 | LS-13466 | n-C3H7C.$.CC3H7 | 4-OCTYNE | InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H |
Storage
Room temperature
Shipped In
FedEx DG Service
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1ml
O106927-1ml
9
$23.90
5ml
O106927-5ml
10
$89.90
25ml
O106927-25ml
5
$369.90
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature 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 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

The kinetics of the stereoselective semi-hydrogenation of 4-octyne (in tetrahydrofuran) was studied

Specifications

Synonyms
Dipropylacetylene | IJI0Q2V1Z6 | O0127 | DTXSID6074338 | FT-0619334 | MFCD00009471 | EINECS 217-730-2 | 4-Octyne, 99% | 1, 2-Dipropylacetylene | J-802146 | AKOS015903071 | LS-13466 | n-C3H7C.$.CC3H7 | 4-OCTYNE | InChI=1/C8H14/c1-3-5-7-8-6-4-2/h3-6H2, 1-2H |
Specifications & Purity
≥99%
Storage
Room temperature
Shipped In
FedEx DG Service
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Pubchem Sid488182197
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182197
Canonical SmilesCCCC#CCCC
IUPAC Nameoct-4-yne
InChIKeyGZTNBKQTTZSQNS-UHFFFAOYSA-N
INCHI1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
Isomeric SMILES CCCC#CCCC
WGK Germany 3
UN Number 3295
Packing Group III
Molecular Weight 110.2
Beilstein 1732138
Reaxy-Rn 1732138
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1732138&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.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassHydrocarbons
ClassUnsaturated hydrocarbons
SubclassAcetylenes
Intermediate Tree Nodes Acyclic acetylenes - Alkynes
Direct ParentTerminal alkynes
Alternative Parents Unsaturated aliphatic hydrocarbons  
Molecular FrameworkAliphatic acyclic compounds
Substituents Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as terminal alkynes. These are alkynes featuring a carbon substituent on one acetylenic carbon, and a hydrogen on the other carbon.
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.

16 results found

Lot NumberCertificate TypeDateItem
D2324029Certificate of AnalysisFeb 04, 2026 O106927
D2324023Certificate of AnalysisFeb 04, 2026 O106927
L2215257Certificate of AnalysisSep 04, 2025 O106927
I2509499Certificate of AnalysisJul 09, 2025 O106927
I2509500Certificate of AnalysisJul 09, 2025 O106927
I2509501Certificate of AnalysisJul 09, 2025 O106927
F2520049Certificate of AnalysisJul 01, 2025 O106927
H2231745Certificate of AnalysisJun 10, 2025 O106927
H2231746Certificate of AnalysisJun 10, 2025 O106927
K2103339Certificate of AnalysisAug 19, 2024 O106927
K2103342Certificate of AnalysisAug 19, 2024 O106927
K2520529Certificate of AnalysisJul 12, 2024 O106927
E2112124Certificate of AnalysisFeb 22, 2024 O106927
L2215256Certificate of AnalysisNov 10, 2022 O106927
E2411010Certificate of AnalysisJul 30, 2022 O106927
H2231757Certificate of AnalysisJul 30, 2022 O106927

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Chemical and Physical Properties
SolubilitySparingly soluble in water( 29.1 mg/L).
Refractive Index1.424-1.426
Flash Point(°F)68°F
Flash Point(°C) 20 °C
Boil Point(°C)131-132°C
Melt Point(°C)-103°C
Molecular Weight110.200 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass110.11 Da
Monoisotopic Mass110.11 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity79.100
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
Citations of This Product
References
1. Lingqi Huang, Kecheng Hu, Ganggang Ye, Zhibin Ye.  (2021)  Highly selective semi-hydrogenation of alkynes with a Pd nanocatalyst modified with sulfide-based solid-phase ligands.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2021.111535]
2. Run Wang, Yiying Pang, Shibing Wu, Chenyang Jin, Xilong Yan, Yang Li, Ligong Chen, Bowei Wang.  (2024)  Internal electric fields tailored by in-situ assembled frustrated Lewis pairs with covalent organic framework.  JOURNAL OF CATALYSIS,      [PMID:] [10.1016/j.jcat.2024.115896]
3. 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]
Solution Calculators
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