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| CAS No.: | 764-35-2 |
|---|---|
| Name: | 2-Hexyne |
| Article Data: | 34 |
| Molecular Structure: | |
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|
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| Formula: | C6H10 |
| Molecular Weight: | 82.1454 |
| Synonyms: | 1-Methyl-2-propylacetylene;Methyl(propyl)acetylene;hex-2-yne; |
| EINECS: | 212-117-6 |
| Density: | 0.74 g/cm3 |
| Melting Point: | -90°C |
| Boiling Point: | 85.4 °C at 760 mmHg |
| Flash Point: | 12 °F |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 F； Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 3-16-36-33-26-7/9 |
| Transport Information: | UN 3295 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 1.80980 |
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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