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4-Octyne - 99%, high purity , CAS No.1942-45-6

3 Citations

COA

Grade & Purity:

≥99%

Cas Number: 1942-45-6
Molecular Weight: 110.2
Beilstein Registry Number: 1732138
EC Number: 217-730-2
MDL number: MFCD00009471
PubChem CID: 16029
PubChem SID: 488182197

In stock

Item Number

O106927

Grouped product items
SKU	Size	Availability	Price
O106927-1ml	1ml	9	$9.90
O106927-5ml	5ml	10	$24.90
O106927-25ml	25ml	5	$71.90

View related series

Alkynes (41) Non heterocyclic block (8163)

Basic Description

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%
Shipped In	Normal
Product Description	The kinetics of the stereoselective semi-hydrogenation of 4-octyne (in tetrahydrofuran) was studied

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Unsaturated hydrocarbons
    - Subclass Acetylenes
      - Level5 Acyclic acetylenes
        Level6 Alkynes
        Level7 Terminal alkynes

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Unsaturated hydrocarbons
Subclass	Acetylenes
Intermediate Tree Nodes	Acyclic acetylenes - Alkynes
Direct Parent	Terminal alkynes
Alternative Parents	Unsaturated aliphatic hydrocarbons
Molecular Framework	Aliphatic acyclic compounds
Substituents	Monosubstituted alkyne - Unsaturated aliphatic hydrocarbon - Aliphatic acyclic compound
Description	This 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
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	488182197
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182197
IUPAC Name	oct-4-yne
INCHI	InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H2,1-2H3
InChIKey	GZTNBKQTTZSQNS-UHFFFAOYSA-N
Smiles	CCCC#CCCC
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=

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.

12 results found

Lot Number	Certificate Type	Date	Item
F2520049	Certificate of Analysis	Jul 01, 2025	O106927
H2231746	Certificate of Analysis	Jun 10, 2025	O106927
H2231745	Certificate of Analysis	Jun 10, 2025	O106927
K2103339	Certificate of Analysis	Aug 19, 2024	O106927
K2103342	Certificate of Analysis	Aug 19, 2024	O106927
E2112124	Certificate of Analysis	Feb 22, 2024	O106927
L2215256	Certificate of Analysis	Nov 10, 2022	O106927
D2324023	Certificate of Analysis	Nov 10, 2022	O106927
L2215257	Certificate of Analysis	Nov 10, 2022	O106927
D2324029	Certificate of Analysis	Jul 30, 2022	O106927
E2411010	Certificate of Analysis	Jul 30, 2022	O106927
H2231757	Certificate of Analysis	Jul 30, 2022	O106927

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Chemical and Physical Properties

Solubility	Sparingly soluble in water( 29.1 mg/L).
Refractive Index	1.424-1.426
Flash Point(°F)	68°F
Flash Point(°C)	20 °C
Boil Point(°C)	131-132°C
Melt Point(°C)	-103°C
Molecular Weight	110.200 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	110.11 Da
Monoisotopic Mass	110.11 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	79.100
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

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