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119059

Sigma-Aldrich

3,3-Dimethyl-1-butene

≥97% (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
Beilstein:
1697101
EC Number:
209-195-9
MDL number:
MFCD00008853
UNSPSC Code:
12352100
PubChem Substance ID:
24847383
NACRES:
NA.22

vapor density

>1 (vs air)

Quality Level

100

vapor pressure

6.96 psi ( 20 °C)

Assay

≥97% (GC)

refractive index

n20/D 1.376 (lit.)

bp

41 °C (lit.)

mp

−115 °C (lit.)

density

0.653 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

CC(C)(C)C=C

InChI

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

InChI key

PKXHXOTZMFCXSH-UHFFFAOYSA-N

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General description

3,3-Dimethyl-1-butene oxidizes selectively to corresponding epoxide by chlorine promoted Ag(111) oxygen adatoms. It undergoes copolymerization with ethylene using a chain-walking Pd-diimine catalyst.

Pictograms

FlameHealth hazard
GHS02,GHS08

Signal Word

Danger

Hazard Statements

H225,H304

Hazard Classifications

Asp. Tox. 1 - Flam. Liq. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

17.6 °F - closed cup

Flash Point(C)

-8 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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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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