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557358

Sigma-Aldrich

2-Methyl-1,5-hexadiene

97%

Synonym(s):

2-Methyldiallyl

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About This Item

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

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

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

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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.

accessory

Product No.
Description
Pricing

Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Danger

Hazard Statements

H225,H340,H350,H373

Hazard Classifications

Carc. 1A - Flam. Liq. 2 - Muta. 1B - STOT RE 2

Target Organs

Blood

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

10.4 °F - closed cup

Flash Point(C)

-12 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

EU REACH Annex XVII (Restriction List)

CAS No.

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Certificates of Analysis (COA)

Lot/Batch Number
MKBN6153V
43097KJV
43097KJ
05216KH
05124KO

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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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