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4049-81-4

4049-81-4 Structure

4049-81-4 Structure
IdentificationBack Directory
[Name]

2-METHYL-1,5-HEXADIENE
[CAS]

4049-81-4
[Synonyms]

2-METHYLDIALLYL
Methylhexadiene
5-Methyldiallyl
CH2=C(CH3)CH2CH2CH=CH2
-Methyl -1,5-hexadiene
2-METHYL-1,5-HEXADIENE
2-methyl-hexa-1,5-diene
2-Methyl-1,5-hexadiene>
SYM-VINYLISOPROPENYLETHANE
2-METHYL-1,5-HEXADIENE 99%
2-METHYL-1,5-HEXADIENE 97+%
2-Methyldiallyl sym-Vinylisopropenylethane
[EINECS(EC#)]

223-751-8
[Molecular Formula]

C7H12
[MDL Number]

MFCD00008603
[MOL File]

4049-81-4.mol
[Molecular Weight]

96.17
Chemical PropertiesBack Directory
[Melting point ]

-128.8°C
[Boiling point ]

92 °C(lit.)
[density ]

0.712 g/mL at 25 °C(lit.)
[vapor density ]

>1 (vs air)
[refractive index ]

n20/D 1.417(lit.)
[Fp ]

10 °F
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[InChI]

1S/C7H12/c1-4-5-6-7(2)3/h4H,1-2,5-6H2,3H3
[InChIKey]

SLQMKNPIYMOEGB-UHFFFAOYSA-N
[SMILES]

CC(=C)CCC=C
[CAS DataBase Reference]

4049-81-4
Safety DataBack Directory
[Hazard Codes ]

F,T
[Risk Statements ]

11-48/20/21/22-46-45
[Safety Statements ]

16-29-33-45-53
[RIDADR ]

UN 3295 3/PG 2
[WGK Germany ]

3
[HS Code ]

2901.29.5000
[HazardClass ]

3
[PackingGroup ]

II
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Carc. 1A
Flam. Liq. 2
Muta. 1B
STOT RE 2
Hazard InformationBack Directory
[Uses]

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.
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

2-METHYL-1,5-HEXADIENE(4049-81-4)MS
2-METHYL-1,5-HEXADIENE(4049-81-4)1HNMR
2-METHYL-1,5-HEXADIENE(4049-81-4)13CNMR
2-METHYL-1,5-HEXADIENE(4049-81-4)IR1
2-METHYL-1,5-HEXADIENE(4049-81-4)Raman
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