52435

cis-1,4-Hexadiene

≥99.0%

• Empirical Formula (Hill Notation): C₆H₁₀
• CAS Number: 7318-67-4
• Molecular Weight: 82.14
• Beilstein/REAXYS Number: 1839519
• EC Number: 230-783-6
• MDL number: MFCD00066517
• UNSPSC Code: 12352100
• PubChem Substance ID: 57651373
• NACRES: NA.22

Properties

• assay: ≥99.0%
• refractive index: n20/D 1.415
• bp: 65-66 °C (lit.)
• density: 0.707 g/mL at 20 °C (lit.)
• SMILES string: C\C=C/CC=C
• InChI: 1S/C6H10/c1-3-5-6-4-2/h3-4,6H,1,5H2,2H3/b6-4-
• InChI key: PRBHEGAFLDMLAL-XQRVVYSFSA-N

Description

General description

cis-1,4-Hexadiene can be synthesized from the cobalt-catalyzed reaction between butadiene and ethylene. The reaction of this hydrocarbon with Fe(CO)₅ affords the trans-1,3-hexadiene-iron tricarbonyl complex (I), plus a small amount of the trans,trans-2,4-hexadiene complex(II). Mechanism of the conversion of cis-1,4-hexadiene to trans-2-methyl-1,3-pentadiene, via rearrangement in the presence of a nickel catalyst has been investigated.

Safety Information

• pictograms: GHS02,GHS06,GHS08
• signalword: Danger
• hcodes: H225,H301,H304
• pcodes: P210
• Hazard Classifications: Acute Tox. 3 Oral - Asp. Tox. 1 - Flam. Liq. 2
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: -50.8 °F - closed cup
• flash_point_c: -46 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter