557358

2-Methyl-1,5-hexadiene

97%

• Synonym(s): 2-Methyldiallyl
• Linear Formula: CH₂=CHCH₂CH₂C(CH₃)=CH₂
• CAS Number: 4049-81-4
• Molecular Weight: 96.17
• MDL number: MFCD00008603
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879664
• NACRES: NA.22

Properties

• vapor density: >1 (vs air)
• assay: 97%
• refractive index: n20/D 1.417 (lit.); n20/D 1.4170 (lit.)
• bp: 92 °C (lit.)
• density: 0.712 g/mL at 25 °C (lit.)
• SMILES string: CC(=C)CCC=C
• InChI: 1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3
• InChI key: SLQMKNPIYMOEGB-UHFFFAOYSA-N

Description

General description

2-Methyl-1,5-hexadiene on mercury-photosensitized irradiation, undergoes internal cycloaddition to afford 1-methylbicyclo[2.1.1]hexane (as major product). High-temperature pyrolysis of 2-methyl-1,5-hexadiene affords 1,5-hexadiene and 2,5-dimethyl-1,5-hexadiene. 2-Methyl-1,5-hexadiene undergoes stereoselective and regioselective reaction with dialkylaluminum chloride (Et₂AlCl) and titanium alkoxide [Ti(OPr-i)₄, a catalyst] followed by oxidation to afford the corresponding five-membered 3-alkylcycloalkyl methanol. 2-Methyl-1,5-hexadiene is formed as a major product during the condensation reaction between allyl chloride and methallyl chloride in the presence of magnesium.

Safety Information

• pictograms: GHS02,GHS08
• signalword: Danger
• hcodes: H225,H340,H350,H373
• pcodes: P202 - P210 - P233 - P240 - P241 - P308 + P313
• Hazard Classifications: Carc. 1A - Flam. Liq. 2 - Muta. 1B - STOT RE 2
• target_organs: Blood
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 10.4 °F - closed cup
• flash_point_c: -12 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter