2-Heptyne

CAS: 1119-65-9

Ref. 3D-FH05953

Product Information

• Name: 2-Heptyne
• Synonyms: 1-Methyl-2-butylacetylene, Butyl(methyl)acetylene, Hept-2-yne, NSC 63874
• CAS: 1119-65-9

Description

2-Heptyne is a hydrocarbon that does not contain any heteroatoms and consists of two carbon atoms. 2-Heptyne has been used for structural analysis and as a precursor to other organic compounds. The chemical shifts in the 1H NMR spectrum can be used to identify the different functional groups present in the molecule. 2-Heptyne has a kinetic selectivity that is dependent on hydrogenation conditions, with methoxy groups being selectively hydrogenated over hydrochloric acid. Kinetic data show that the reaction rate increases with increasing temperature. This behavior is typical for reactions of this type, which are endothermic and have an activation energy of 40 kJ/mol. In vivo human studies have shown that 2-heptyne is metabolized through oxidation by cytochrome P450 enzymes, reduction by glutathione reductase, or conjugation with glucuronic acid.

• Brand: Biosynth

Chemical properties

• Molecular weight: 96.17 g/mol
• Formula: C₇H₁₂
• Purity: Min. 95%
• InChI: InChI=1S/C2H6/c1-2/h1-2H3
• InChI key: InChIKey=OTMSDBZUPAUEDD-UHFFFAOYSA-N
• SMILES: CC#CCCCC