Product Name

  • Name

    2,4-HEXADIENE

  • EINECS 225-979-3
  • CAS No. 5194-50-3
  • Article Data52
  • CAS DataBase
  • Density 0.715 g/cm3
  • Solubility
  • Melting Point -96.1°C
  • Formula C6H10
  • Boiling Point 80 °C at 760 mmHg
  • Molecular Weight 82.1454
  • Flash Point 7 °F
  • Transport Information UN 2458
  • Appearance
  • Safety 16-26-36
  • Risk Codes 11-36/37/38
  • Molecular Structure Molecular Structure of 5194-50-3 (2,4-HEXADIENE)
  • Hazard Symbols FlammableF; IrritantXi
  • 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;
  • PSA 0.00000
  • LogP 2.13860

2,4-Hexadiene, (2E,4Z)- 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

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