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2-Hexyne

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Name

2-Hexyne

EINECS 212-117-6
CAS No. 764-35-2 Density 0.74 g/cm3
PSA 0.00000 LogP 1.80980
Solubility N/A Melting Point -90°C
Formula C6H10 Boiling Point 85.4 °C at 760 mmHg
Molecular Weight 82.1454 Flash Point 12 °F
Transport Information UN 3295 3/PG 2 Appearance clear light yellow liquid
Safety 3-16-36-33-26-7/9 Risk Codes 11-36/37/38
Molecular Structure Molecular Structure of 764-35-2 (2-Hexyne) Hazard Symbols FlammableF;IrritantXi
Synonyms

1-Methyl-2-propylacetylene;Methyl(propyl)acetylene;hex-2-yne;

Article Data 34

2-Hexyne Specification

The 2-Hexyne, with the CAS registry number 764-35-2 and EINECS registry number 212-117-6, has the systematic name and IUPAC name of hex-2-yne. It belongs to the following product categories: Acetylenes; Acetylenic Hydrocarbons; Alkynes; Internal; Organic Building Blocks. And the molecular formula of the chemical is C6H10.

The characteristics of 2-Hexyne are as followings: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.67; (6)ACD/BCF (pH 7.4): 48.67; (7)ACD/KOC (pH 5.5): 561.5; (8)ACD/KOC (pH 7.4): 561.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.416; (14)Molar Refractivity: 27.85 cm3; (15)Molar Volume: 110.8 cm3; (16)Polarizability: 11.04×10-24cm3; (17)Surface Tension: 25.4 dyne/cm; (18)Density: 0.74 g/cm3; (19)Enthalpy of Vaporization: 31.22 kJ/mol; (20)Boiling Point: 85.4 °C at 760 mmHg; (21)Vapour Pressure: 77.8 mmHg at 25°C. 

Uses of 2-Hexyne: It can react with dibromo-difluoro-methane to produce 3,3-Difluoro-1-methyl-2-propylcyclopropene. This reaction will need reagent Ph3P, KF and 1,4,7,10,13,16-hexaoxacyclooctadecane, and the menstruum 1,2-dimethoxy-ethane. The reaction temperature is 25°C, and the yield is about 46%.   

You should be cautious while dealing with this chemical. It is a kind of highly flammable chemical which irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: Keep in a cool place; Keep away from sources of ignition - No smoking; Wear suitable protective clothing; Take precautionary measures against static discharges; In case of contact with eyes, rinse immediately with plenty of water and seek medical advice; Keep container tightly closed and in a well-ventilated place.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C(#CCCC)C
(2)InChI: InChI=1/C6H10/c1-3-5-6-4-2/h3,5H2,1-2H3
(3)InChIKey: MELUCTCJOARQQG-UHFFFAOYAT

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