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| CAS No.: | 5194-51-4 |
|---|---|
| Name: | trans,trans-2,4-Hexadiene |
| Article Data: | 82 |
| Molecular Structure: | |
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| Formula: | C6H10 |
| Molecular Weight: | 82.1454 |
| Synonyms: | 2,4-Hexadiene,(E,E)- (8CI,9CI);(2E,4E)-2,4-Hexadiene;(2E,4E)-Hexadiene;(E,E)-2,4-Hexadiene;trans,trans-1,4-Dimethyl-1,3-butadiene;trans,trans-2,4-Hexadiene;(2E,4E)-Hexa-2,4-diene;2,4-Hexadiene, (E,Z)-; |
| EINECS: | 225-980-9 |
| Density: | 0.715 g/cm3 |
| Boiling Point: | 80 °C at 760 mmHg |
| Flash Point: | 7 °F |
| Hazard Symbols: |
 F, Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 2458 3/PG 2 |
| PSA: | 0.00000 |
| LogP: | 2.13860 |
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Specification
This chemical is called 2,4-Hexadiene, (2E,4E)-, and it can also be named as (2E,4E)-2,4-Hexadiene. With the molecular formula of C6H10, its molecular weight is 82.14. The CAS registry number of this chemical is 5194-51-4, and its EINECS number is 225-980-9. In addition, its systematic name is (2E,4E)-hexa-2,4-diene.
Other characteristics of the 2,4-Hexadiene, (2E,4E)- can be summarised as follows: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.91; (4)ACD/LogD (pH 7.4): 2.91; (5)ACD/BCF (pH 5.5): 95.35; (6)ACD/BCF (pH 7.4): 95.35; (7)ACD/KOC (pH 5.5): 908.7; (8)ACD/KOC (pH 7.4): 908.7; (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: 1.435; (14)Molar Refractivity: 29.96 cm3; (15)Molar Volume: 114.8 cm3; (16)Polarizability: 11.87×10-24 cm3; (17)Surface Tension: 20.8 dyne/cm; (18)Density: 0.715 g/cm3; (19)Enthalpy of Vaporization: 30.75 kJ/mol; (20)Boiling Point: 80 °C at 760 mmHg; (21)Vapour Pressure: 96.4 mmHg at 25°C.
Production method of this chemical: The 2,4-Hexadiene, (2E,4E)- and trimethyl(1-methyl-1,3-pentadienyl)silane could be obtained by the reactant of trimethyl(1-methylene-3-pentenyl)silane. This reaction needs the reagent of (CH3)3OK, and the solvent of hexamethylphosphoric acid triamide. The yield is 70 %. In addition, this reaction should be taken for 3 hours at the temperature of 60 °C.
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Uses of this chemical: The 3,6-Dimethyl-3,6-dihydro-o-dioxin could be obtained by the reactant of 2,4-Hexadiene, (2E,4E)-. This reaction needs the reagents of O2 and methylene blue, and the solvent of CH2Cl2. The yield is 87 %. This reaction should be taken for 23 hours at the temperature of 0 °C.
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When you are using this chemical, please be cautious about it as follows: This chemical is irritating to eyes, respiratory system and skin. It is highly flammable, so keep it far away from the sources of ignition. When you use it, you should wear suitable protective clothing. Besides, in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: C(=C/C=C/C)\C
2.InChI: InChI=1/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3+,6-4+
3.InChIKey: APPOKADJQUIAHP-GGWOSOGEBG