2-Hexyne - ≥98%(GC) , CAS No.764-35-2

CAS: 764-35-2 Cat. No.: H157356 Molecular Weight: 82.15 Beilstein Registry Number: 1731540 EC Number: 212-117-6

GRADE & PURITY ≥98%(GC)

Synonyms

H0429 | Q209408 | EINECS 212-117-6 | Methyl propyl acetylene | Methyl(propyl)acetylene | EC0WA2IXU7 | FT-0612499 | AKOS015841149 | Methylpropylacetylene | 1-Methyl-2-propylacetylene | 2-HEXYNE | MFCD00009470 | DTXSID9074725 | C3H7C.$.CCH3 | 2-Hexyne, 99%

Storage

Room temperature,Argon charged

Shipped In

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Overview

Product Introduction

Pd/SiO2 modified with ionic liquid catalyzed lead free stereoselective hydrogenation of 2-hexyne has been reported. Polymerization of 2-hexyne in toluene catalyzed by MoCl5.Ph4Sn and WCl6.Ph4Sn has been reported. Mechanism of hydrogenation of 2-hexyne in solution on selective and unselective bulk Pd has been investigated. Lanthanum-catalyzed dimerization of 2-hexyne has been reported.

Specifications

Synonyms

H0429 | Q209408 | EINECS 212-117-6 | Methyl propyl acetylene | Methyl(propyl)acetylene | EC0WA2IXU7 | FT-0612499 | AKOS015841149 | Methylpropylacetylene | 1-Methyl-2-propylacetylene | 2-HEXYNE | MFCD00009470 | DTXSID9074725 | C3H7C.$.CCH3 | 2-Hexyne, 99%

Specifications & Purity

≥98%(GC)

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%(GC)

Names and Identifiers

• Pubchem Sid: 504753507
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753507
• Canonical Smiles: CCCC#CC
• IUPAC Name: hex-2-yne
• InChIKey: MELUCTCJOARQQG-UHFFFAOYSA-N
• INCHI: 1S/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3
• Isomeric SMILES: CCCC#CC
• WGK Germany: 3
• UN Number: 3295
• Packing Group: II
• Molecular Weight: 82.15
• Beilstein: 1731540
• Reaxy-Rn: 1731542
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1731542&ln=

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

Data sources

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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Refractive Index: 1.414
• Flash Point(°F): 12.2 °F
• Flash Point(°C): -10°C
• Boil Point(°C): 84°C
• Melt Point(°C): -90°C
• Molecular Weight: 82.140 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 82.0783 Da
• Monoisotopic Mass: 82.0783 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 68.500
• 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