The 2-Heptyne, with the CAS registry number of 1119-65-9, is also known as 1-Methyl-2-butylacetylene. It belongs to the product categories of Acetylenes; Acetylenic Hydrocarbons. Its EINECS registry number is 214-285-6. This chemical's molecular formula is C₇H₁₂ and molecular weight is 96.17. What's more, its IUPAC name is Hept-2-yne. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact oxidant.

Physical properties about 2-Heptyne are: (1)ACD/LogP: 3.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.05; (5)ACD/BCF (pH 5.5): 123.33; (6)ACD/BCF (pH 7.4): 123.33; (7)ACD/KOC (pH 5.5): 1092.46; (8)ACD/KOC (pH 7.4): 1092.46; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.423; (14)Molar Refractivity: 32.48 cm³; (15)Molar Volume: 127.3 cm³; (16)Surface Tension: 26.4 dyne/cm; (17)Density: 0.754 g/cm³; (18)Flash Point: 8 °C; (19)Enthalpy of Vaporization: 33.59 kJ/mol; (20)Boiling Point: 111.9 °C at 760 mmHg; (21)Vapour Pressure: 26.3 mmHg at 25 °C.

Preparation of 2-Heptyne: this chemical is prepared by Hepta-1, 2-diene. This reaction needs reagents Potassium tert-butylate and <18>Crown-6. The reaction time is 2 hours with reaction temperature of 70 °C. The yield is about 93 %.

Uses of 2-Heptyne: it is used to produce other chemicals. For example, it is used to produce 2-Methyl-hept-2-enoic acid propyl ester. This reaction needs reagents HCl and O₂. Meanwhile, it needs solvents PdCl₂ and CuCl₂. The reaction time is 2 hours. The yield is about 76 %.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is highly flammable, and it may catch fire in contact with an ignition source. Hence, keep it away from sources of ignition.

You can still convert the following datas into molecular structure:
(1) SMILES: C(#CCCCC)C
(2) InChI: InChI=1/C7H12/c1-3-5-7-6-4-2/h3,5,7H2,1-2H3
(3) InChIKey: AMSFEMSYKQQCHL-UHFFFAOYAE