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| CAS No.: | 592-46-1 |
|---|---|
| Name: | 2,4-Hexadiene |
| Molecular Structure: | |
|
|
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| Formula: | C6H10 |
| Molecular Weight: | 82.1454 |
| Synonyms: | 1,4-Dimethylbutadiene;Bipropenyl;Dipropenyl;NSC 74169; |
| EINECS: | 209-757-3 |
| Density: | 0.715 g/cm3 |
| Melting Point: | 179-180℃ |
| Boiling Point: | 80 °C at 760 mmHg |
| Flash Point: | 7 °F |
| Solubility: | Miscible with ethanol, ethyl ether and chloroform. Immiscible with water. |
| Appearance: | clear light yellow liquid |
| Hazard Symbols: |
 F,  Xi
|
| Risk Codes: | 11-36/37/38 |
| Safety: | 16-26-36 |
| Transport Information: | UN 2458 |
| PSA: | 0.00000 |
| LogP: | 2.13860 |
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Specification
The 2, 4-Hexadiene, with the CAS registry number of 592-46-1, is also known as Bipropenyl. It belongs to the product categories of Acyclic; Alkenes; Organic Building Blocks. Its EINECS registry number is 209-757-3. This chemical's molecular formula is C6H10 and molecular weight is 82.14. What's more, its IUPAC name is (2E, 4E)-hexa-2, 4-diene. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about 2, 4-Hexadiene are: (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)Surface Tension: 20.8 dyne/cm; (17)Density: 0.715 g/cm3; (18)Enthalpy of Vaporization: 30.75 kJ/mol; (19)Boiling Point: 80 °C at 760 mmHg; (20)Vapour Pressure: 96.4 mmHg at 25 °C.
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. During using it, wear suitable protective clothing. 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(=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