InChI
1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3
SMILES string
CC(=C)CCC=C
InChI key
SLQMKNPIYMOEGB-UHFFFAOYSA-N
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.)
functional group
allyl
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.
signalword
Danger
hcodes
Hazard Classifications
Carc. 1A - Flam. Liq. 2 - Muta. 1B - STOT RE 2
target_organs
Blood
存储类别
3 - Flammable liquids
wgk
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
法规信息
新产品
此项目有
Olefins and Diolefins from Allylic Chlorides.
Henne AL, et al.
Journal of the American Chemical Society, 63(12), 3474-3476 (1941)
Vapor-phase thermolyses of 3-hydroxy-1, 5-hexadienes. II. Effects of methyl substitution.
Negishi EI, et al.
Journal of the American Chemical Society, 116(18), 8404-8405 (1994)
Mercury (3P1) photosensitized internal cycloaddition reactions in 1, 4-, 1, 5-, and 1, 6-dienes.
Srinivasan R and Carlough KH.
Journal of the American Chemical Society, 89(19), 4932-4936 (1967)
Vapor-phase thermolyses of 3-hydroxy-1, 5-hexadienes. II. Effects of methyl substitution.
Viola A, et al.
Journal of the American Chemical Society, 89(14), 3462-3470 (1967)
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