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Merck
CN

39832

3,3-Dimethyl-1-butene

≥98.5% (GC)

Synonym(s):

Neohexene

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About This Item

Linear Formula:
(CH3)3CCH=CH2
CAS Number:
558-37-2
Molecular Weight:
84.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
57649909
EC Number:
209-195-9
Beilstein/REAXYS Number:
1697101
MDL number:
MFCD00008853
Assay:
≥98.5% (GC)

Key Documents

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InChI key

PKXHXOTZMFCXSH-UHFFFAOYSA-N

InChI

1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3

SMILES string

CC(C)(C)C=C

vapor density

>1 (vs air)

vapor pressure

6.96 psi ( 20 °C)

assay

≥98.5% (GC)

refractive index

n20/D 1.376 (lit.), n20/D 1.377

bp

41 °C (lit.)

mp

−115 °C (lit.)

density

0.653 g/mL at 25 °C (lit.)

Quality Level

200

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Application

General description

3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. 3,3-Dimethyl-1-butene undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalyst. Cationic polymerization of 3,3-dimethyl-1-butene (tert-butyl ethylene) has been carried out using AlCl3catalyst in ethyl chloride solvent in the temperature range -31 to -130°C.

pictograms

FlameHealth hazard
GHS02,GHS08

signalword

Danger

hcodes

H225,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Storage Class

3 - Flammable liquids

wgk

WGK 3

flash_point_f

17.6 °F - closed cup

flash_point_c

-8 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
0000441189
0000441189
0000277623
0000271589
0000263981

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Cationic isomerization polymerization of 3, 3-dimethyl-1-butene.
Kennedy JP, et al.
Makromol. Chem., 79(1), 109-121 (1964)
Molecular mechanism of alkene epoxidation: A model study with 3, 3-dimethyl-1-butene on Ag (111).
Mukoid C, et al.
Catalysis Letters, 4(1), 57-61 (1990)
Peng Xiang et al.
Macromolecular rapid communications, 31(12), 1083-1089 (2011-05-19)
In this Communication, the copolymerization of ethylene with a sterically hindered α-olefin comonomer, γ-trisubstituted 3,3-dimethyl-1-butene (DMB), using a chain-walking Pd-diimine catalyst, [(ArNC(Me)(Me)CNAr)Pd(CH(3) )(NCMe)]SbF(6) (Ar2,6-(iPr)(2) C(6) H(3) ) (1) is reported. In spite of its high steric bulkiness in the close

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