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5194-50-3

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Basic Information
CAS No.: 5194-50-3
Name: 2,4-HEXADIENE
Article Data: 52
Molecular Structure:
Molecular Structure of 5194-50-3 (2,4-HEXADIENE)
Formula: C6H10
Molecular Weight: 82.1454
Synonyms: 2,4-Hexadiene,(E,Z)- (8CI,9CI);(2E,4Z)-2,4-Hexadiene;(2E,4Z)-Hexadiene;(E,Z)-2,4-Hexadiene;2-cis-4-trans-Hexadiene;cis,trans-2,4-Hexadiene;cis-2-trans-4-Hexadiene;trans,cis-2,4-Hexadiene;trans-2-cis-4-Hexadiene;
EINECS: 225-979-3
Density: 0.715 g/cm3
Melting Point: -96.1°C
Boiling Point: 80 °C at 760 mmHg
Flash Point: 7 °F
Hazard Symbols: FlammableF； IrritantXi
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, (2E,4Z)-, with CAS registry number 5194-50-3, has the systematic name of (2Z,4E)-hexa-2,4-diene. Besides this, it is also called cis,trans-Hexa-2,4-diene. And the chemical formula of this chemical is C6H10. What's more, its EINECS is 225-979-3.

Physical properties of 2,4-Hexadiene, (2E,4Z)-: (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: 11.87×10-24cm3; (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.

Uses of 2,4-Hexadiene, (2E,4Z)-: it can be used to produce 3,6-dimethyl-3,6-dihydro-[1,2]dithiine. This reaction will need reagents 2,2'-bis(benzoyl)biphenyl, B2S3 and solvent toluene. The yield is about 20%.

Uses of 2,4-Hexadiene, (2E,4Z)-: it can be used to produce 3,6-dimethyl-3,6-dihydro-[1,2]dithiine.

When you are using this chemical, please be cautious about it as the following:
The 2,4-Hexadiene, (2E,4Z)- irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. Secondly, this chemical is flammable, so 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-CIIODKQPBC
(4)Std. InChI: InChI=1S/C6H10/c1-3-5-6-4-2/h3-6H,1-2H3/b5-3-,6-4+
(5)Std. InChIKey: APPOKADJQUIAHP-CIIODKQPSA-N